methyl 3-(3-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: methyl 3-(3-phenylsulfanylpropanoylamino)benzoate Openeye Name: methyl 3-(3-phenylsulfanylpropanoylamino)benzoate CAS Name: 3-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-(3-phenylsulfanylpropanoylamino)benzoate Traditional Name: 3-[3-(phenylthio)propanoylamino]benzoic acid methyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CCSC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-21-17(20)13-6-5-7-14(12-13)18-16(19)10-11-22-15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3,(H,18,19)