3-methyl-4-(2-phenylsulfanylethanoylamino)benzoic acid

Systemtic Name: 3-methyl-4-(2-phenylsulfanylethanoylamino)benzoic acid Openeye Name: 3-methyl-4-[(2-phenylsulfanylacetyl)amino]benzoic acid CAS Name: 3-methyl-4-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[(2-phenylsulfanylacetyl)amino]benzoic acid Traditional Name: 3-methyl-4-[[2-(phenylthio)acetyl]amino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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