ethyl 2,5-dimethyl-1-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-(4-methylsulfanylanilino)-2-oxo-ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-[4-(methylthio)anilino]-2-oxoethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-(4-methylsulfanylanilino)-2-oxoethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[4-(methylthio)anilino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=C(C=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NC2=CC=C(C=C2)SC)C

InChI

InChI=1S/C18H22N2O3S/c1-5-23-18(22)16-10-12(2)20(13(16)3)11-17(21)19-14-6-8-15(24-4)9-7-14/h6-10H,5,11H2,1-4H3,(H,19,21)