5-methyl-2-(2-phenylsulfanylethanoylamino)benzoic acid

Systemtic Name: 5-methyl-2-(2-phenylsulfanylethanoylamino)benzoic acid Openeye Name: 5-methyl-2-[(2-phenylsulfanylacetyl)amino]benzoic acid CAS Name: 5-methyl-2-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid IUPAC Name: 5-methyl-2-[(2-phenylsulfanylacetyl)amino]benzoic acid Traditional Name: 5-methyl-2-[[2-(phenylthio)acetyl]amino]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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