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

Systemtic Name: methyl 1-(4-butylphenyl)-2-methyl-5-oxidanylidene-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate Openeye Name: methyl 1-(4-butylphenyl)-2-methyl-5-oxo-4-(2-thienylmethylene)pyrrole-3-carboxylate CAS Name: 1-(4-butylphenyl)-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-butylphenyl)-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)pyrrole-3-carboxylate Traditional Name: 1-(4-butylphenyl)-5-keto-2-methyl-4-(2-thenylidene)-2-pyrroline-3-carboxylic acid methyl ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=C(C(=CC3=CC=CS3)C2=O)C(=O)OC)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=C(C(=CC3=CC=CS3)C2=O)C(=O)OC)C

InChI

InChI=1S/C22H23NO3S/c1-4-5-7-16-9-11-17(12-10-16)23-15(2)20(22(25)26-3)19(21(23)24)14-18-8-6-13-27-18/h6,8-14H,4-5,7H2,1-3H3