methyl 5-ethanoyl-4-methyl-2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-ethanoyl-4-methyl-2-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-acetyl-4-methyl-2-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]-1H-pyrrole-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[2-[3-(methylthio)anilino]-2-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-4-methyl-2-[2-(3-methylsulfanylanilino)-2-oxoethyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-acetyl-2-[2-keto-2-[3-(methylthio)anilino]ethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)CC(=O)NC2=CC(=CC=C2)SC)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)CC(=O)NC2=CC(=CC=C2)SC)C(=O)C

InChI

InChI=1S/C18H20N2O4S/c1-10-16(18(23)24-3)14(20-17(10)11(2)21)9-15(22)19-12-6-5-7-13(8-12)25-4/h5-8,20H,9H2,1-4H3,(H,19,22)