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

Systemtic Name: methyl 2,4-dimethyl-5-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-13-17(20(26)27-3)14(2)21-18(13)19(25)23-10-8-22(9-11-23)16(24)7-6-15-5-4-12-28-15/h4-7,12,21H,8-11H2,1-3H3/b7-6+