methyl 4-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

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

InChI

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