(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O4S/c1-18-15-19(28-13-7-8-14-28)11-12-21(18)27-24(30)17-33-22-10-6-5-9-20(22)25(31)32-16-23(29)26(2,3)4/h5-6,9-12,15H,7-8,13-14,16-17H2,1-4H3,(H,27,30)