(4-oxidanylidene-4-thiophen-2-yl-butyl) 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-1-(p-tolyl)pyrrole-3-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCCCC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCCCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H23NO3S/c1-15-8-10-18(11-9-15)23-16(2)14-19(17(23)3)22(25)26-12-4-6-20(24)21-7-5-13-27-21/h5,7-11,13-14H,4,6,12H2,1-3H3