methyl 3-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 3-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: methyl 3-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 3-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 3-[[2-(phenylthio)acetyl]amino]benzoic acid methyl ester Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H15NO3S/c1-20-16(19)12-6-5-7-13(10-12)17-15(18)11-21-14-8-3-2-4-9-14/h2-10H,11H2,1H3,(H,17,18)