methyl 2-(4-aminocarbonyl-2-azanyl-phenyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-aminocarbonyl-2-azanyl-phenyl)sulfanylethanoate Openeye Name: methyl 2-(2-amino-4-carbamoyl-phenyl)sulfanylacetate CAS Name: 2-[(2-amino-4-carbamoylphenyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(2-amino-4-carbamoylphenyl)sulfanylacetate Traditional Name: 2-[(2-amino-4-carbamoyl-phenyl)thio]acetic acid methyl ester Formula: C10H12N2O3S MolecularWeight: 240.27888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C=C(C=C1)C(=O)N)N

Isomeric SMILES

COC(=O)CSC1=C(C=C(C=C1)C(=O)N)N

InChI

InChI=1S/C10H12N2O3S/c1-15-9(13)5-16-8-3-2-6(10(12)14)4-7(8)11/h2-4H,5,11H2,1H3,(H2,12,14)