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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H22N2O4S/c1-10-16(12(3)21)11(2)19-17(10)18(23)24-9-15(22)20-13-6-5-7-14(8-13)25-4/h5-8,12,19,21H,9H2,1-4H3,(H,20,22)/t12-/m0/s1