5-methyl-2-[2-(methylcarbamoyl)phenyl]sulfanyl-benzoic acid

Systemtic Name: 5-methyl-2-[2-(methylcarbamoyl)phenyl]sulfanyl-benzoic acid Openeye Name: 5-methyl-2-[2-(methylcarbamoyl)phenyl]sulfanyl-benzoic acid CAS Name: 5-methyl-2-[[2-(methylcarbamoyl)phenyl]thio]benzoic acid IUPAC Name: 5-methyl-2-[2-(methylcarbamoyl)phenyl]sulfanylbenzoic acid Traditional Name: 5-methyl-2-[[2-(methylcarbamoyl)phenyl]thio]benzoic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)NC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=CC=C2C(=O)NC)C(=O)O

InChI

InChI=1S/C16H15NO3S/c1-10-7-8-14(12(9-10)16(19)20)21-13-6-4-3-5-11(13)15(18)17-2/h3-9H,1-2H3,(H,17,18)(H,19,20)