[(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2R)-2-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] (2R)-2-(p-tolylsulfanyl)propanoate CAS Name: (2R)-2-[(4-methylphenyl)thio]propanoic acid [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] (2R)-2-(4-methylphenyl)sulfanylpropanoate Traditional Name: (2R)-2-(p-tolylthio)propionic acid [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)OC(C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)O[C@H](C)C(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C21H25NO4S/c1-11-7-9-17(10-8-11)27-16(6)21(25)26-15(5)20(24)19-12(2)18(14(4)23)13(3)22-19/h7-10,15-16,22H,1-6H3/t15-,16-/m1/s1