methyl 4-(2-phenylsulfanylethylcarbamoyl)benzoate

Systemtic Name: methyl 4-(2-phenylsulfanylethylcarbamoyl)benzoate Openeye Name: methyl 4-(2-phenylsulfanylethylcarbamoyl)benzoate CAS Name: 4-[oxo-[2-(phenylthio)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-phenylsulfanylethylcarbamoyl)benzoate Traditional Name: 4-[2-(phenylthio)ethylcarbamoyl]benzoic acid methyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCSC2=CC=CC=C2

InChI

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