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Inherent Properties, Identifiers and References
ChemSpider ID: 4269171
Empirical Formula: C14H14N2O5S
Molecular Weight: 322.3364
Nominal Mass: 322 Da
Average Mass: 322.3364 Da
Monoisotopic Mass: 322.062342 Da
Systematic Name: methyl (2Z)-2-(acetylimino)-3-(2-methoxy-2-oxoethyl)-2,3-dihydro-​1,3-benzothiazole-6-carboxylate
SMILES: O=C(OC)c2ccc1c(S\C(=N/C(=O)C)N1CC(=O)OC)c2 Copy
InChI: InChI=1/C14H14N2O5S/c1-8(17)15-14-16(7-12(18)20-2)10-5-4-9(13(19)​21-3)6-11(10)22-14/h4-6H,7H2,1-3H3/b15-14- Copy
InChIKey: FRQTZRORKKQJMA-PFONDFGABK
Std. InChI: InChI=1S/C14H14N2O5S/c1-8(17)15-14-16(7-12(18)20-2)10-5-4-9(13(19​)21-3)6-11(10)22-14/h4-6H,7H2,1-3H3/b15-14- Copy
Std. InChIKey: FRQTZRORKKQJMA-PFONDFGASA-N
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