methyl 4-methyl-3-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4-methyl-3-[[2-(phenylthio)acetyl]amino]benzoic acid methyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-12-8-9-13(17(20)21-2)10-15(12)18-16(19)11-22-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,18,19)