methyl 2-[3-(4-aminophenyl)sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[3-(4-aminophenyl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-(4-aminophenyl)sulfanylpropanoylamino]benzoate CAS Name: 2-[[3-[(4-aminophenyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-aminophenyl)sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[(4-aminophenyl)thio]propanoylamino]benzoic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=CC=C(C=C2)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=CC=C(C=C2)N

InChI

InChI=1S/C17H18N2O3S/c1-22-17(21)14-4-2-3-5-15(14)19-16(20)10-11-23-13-8-6-12(18)7-9-13/h2-9H,10-11,18H2,1H3,(H,19,20)