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

Systemtic Name: methyl 2,4-dimethyl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[4-(2-thienylmethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-(2-thenyl)piperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-12-15(18(23)24-3)13(2)19-16(12)17(22)21-8-6-20(7-9-21)11-14-5-4-10-25-14/h4-5,10,19H,6-9,11H2,1-3H3