methyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 4-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 4-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]benzoic acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCSCC(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C13H16N2O4S/c1-19-13(18)9-2-4-10(5-3-9)15-12(17)6-7-20-8-11(14)16/h2-5H,6-8H2,1H3,(H2,14,16)(H,15,17)