ethyl 2-methyl-1-(2-methylpropyl)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-1-(2-methylpropyl)-5-oxidanylidene-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate Openeye Name: ethyl 1-isobutyl-2-methyl-5-oxo-4-(2-thienylmethylene)pyrrole-3-carboxylate CAS Name: 2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-1-(2-methylpropyl)-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate Traditional Name: 1-isobutyl-5-keto-2-methyl-4-(2-thenylidene)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=CS2)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=CS2)CC(C)C)C

InChI

InChI=1S/C17H21NO3S/c1-5-21-17(20)15-12(4)18(10-11(2)3)16(19)14(15)9-13-7-6-8-22-13/h6-9,11H,5,10H2,1-4H3