2-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl]thio]benzoic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H22N2O3S/c1-14-12-15(22-10-4-5-11-22)8-9-17(14)21-19(23)13-26-18-7-3-2-6-16(18)20(24)25/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,21,23)(H,24,25)