[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)COC(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-14-12-15(24-10-2-3-11-24)4-5-16(14)23-20(26)13-28-21(27)9-6-17(25)18-7-8-19(22)29-18/h4-5,7-8,12H,2-3,6,9-11,13H2,1H3,(H,23,26)