2-[1-(2,3-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(2,3-dimethylphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylbenzoic acid Openeye Name: 2-[1-(2,3-dimethylphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylbenzoic acid CAS Name: 2-[[1-(2,3-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid IUPAC Name: 2-[1-(2,3-dimethylphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylbenzoic acid Traditional Name: 2-[[1-(2,3-dimethylphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]benzoic acid Formula: C19H17NO4S MolecularWeight: 355.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)CC(C2=O)SC3=CC=CC=C3C(=O)O)C

InChI

InChI=1S/C19H17NO4S/c1-11-6-5-8-14(12(11)2)20-17(21)10-16(18(20)22)25-15-9-4-3-7-13(15)19(23)24/h3-9,16H,10H2,1-2H3,(H,23,24)