methyl 3-(4-aminocarbonyl-2-azanyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(4-aminocarbonyl-2-azanyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-amino-4-carbamoyl-phenyl)sulfanylpropanoate CAS Name: 3-[(2-amino-4-carbamoylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-amino-4-carbamoylphenyl)sulfanylpropanoate Traditional Name: 3-[(2-amino-4-carbamoyl-phenyl)thio]propionic acid methyl ester Formula: C11H14N2O3S MolecularWeight: 254.30546

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)C(=O)N)N

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)C(=O)N)N

InChI

InChI=1S/C11H14N2O3S/c1-16-10(14)4-5-17-9-3-2-7(11(13)15)6-8(9)12/h2-3,6H,4-5,12H2,1H3,(H2,13,15)