2-[(4-methylphenyl)-(2-sulfanylphenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)-(2-sulfanylphenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-(4-methyl-N-(2-sulfanylbenzoyl)anilino)acetic acid CAS Name: 2-(N-[(2-mercaptophenyl)-oxomethyl]-4-methylanilino)acetic acid IUPAC Name: 2-(4-methyl-N-(2-sulfanylbenzoyl)anilino)acetic acid Traditional Name: 2-(N-(2-mercaptobenzoyl)-4-methyl-anilino)acetic acid Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC=CC=C2S

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)O)C(=O)C2=CC=CC=C2S

InChI

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