[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxylic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(2-thenyl)pyrrole-3-carboxylic acid [2-keto-1-methyl-2-(4-phenylpiperazino)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)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CS2)C)C(=O)OC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c1-18-16-23(19(2)28(18)17-22-10-7-15-32-22)25(30)31-20(3)24(29)27-13-11-26(12-14-27)21-8-5-4-6-9-21/h4-10,15-16,20H,11-14,17H2,1-3H3