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

Systemtic Name: ethyl 2,4-dimethyl-1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-5-phenyl-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]-5-phenyl-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-1-[2-[3-(methylthio)anilino]-2-oxoethyl]-5-phenyl-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]-5-phenylpyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[3-(methylthio)anilino]ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester Formula: C24H26N2O3S MolecularWeight: 422.53984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)SC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1C)C2=CC=CC=C2)CC(=O)NC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C24H26N2O3S/c1-5-29-24(28)22-16(2)23(18-10-7-6-8-11-18)26(17(22)3)15-21(27)25-19-12-9-13-20(14-19)30-4/h6-14H,5,15H2,1-4H3,(H,25,27)