2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,5-dimethyl-benzoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,5-dimethyl-benzoic acid Openeye Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,5-dimethyl-benzoic acid CAS Name: 2-[[2-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3,5-dimethylbenzoic acid IUPAC Name: 2-[2-(4-chlorophenyl)sulfanylpropanoylamino]-3,5-dimethylbenzoic acid Traditional Name: 2-[2-[(4-chlorophenyl)thio]propanoylamino]-3,5-dimethyl-benzoic acid Formula: C18H18ClNO3S MolecularWeight: 363.85842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C18H18ClNO3S/c1-10-8-11(2)16(15(9-10)18(22)23)20-17(21)12(3)24-14-6-4-13(19)5-7-14/h4-9,12H,1-3H3,(H,20,21)(H,22,23)