[2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-[(2-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(2-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid [2-[2-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid [2-keto-2-(2-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OCC(=O)NC3=C(C=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C25H29N3O3S/c1-17-13-20(27-10-4-5-11-27)8-9-23(17)26-24(29)16-31-25(30)22-14-18(2)28(19(22)3)15-21-7-6-12-32-21/h6-9,12-14H,4-5,10-11,15-16H2,1-3H3,(H,26,29)