propan-2-yl 2,4-dimethyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[4-[(E)-3-(2-thienyl)prop-2-enoyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-[(E)-3-(2-thienyl)acryloyl]piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C22H27N3O4S/c1-14(2)29-22(28)19-15(3)20(23-16(19)4)21(27)25-11-9-24(10-12-25)18(26)8-7-17-6-5-13-30-17/h5-8,13-14,23H,9-12H2,1-4H3/b8-7+