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

Systemtic Name: ethyl 3,5-dimethyl-4-[3-[(3-methylsulfanylphenyl)amino]-3-oxidanylidene-propyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[3-(3-methylsulfanylanilino)-3-oxo-propyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[3-[3-(methylthio)anilino]-3-oxopropyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[3-(3-methylsulfanylanilino)-3-oxopropyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-keto-3-[3-(methylthio)anilino]propyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NC2=CC(=CC=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)NC2=CC(=CC=C2)SC)C

InChI

InChI=1S/C19H24N2O3S/c1-5-24-19(23)18-12(2)16(13(3)20-18)9-10-17(22)21-14-7-6-8-15(11-14)25-4/h6-8,11,20H,5,9-10H2,1-4H3,(H,21,22)