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

Systemtic Name: [(2R)-1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic 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] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [(1R)-2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H20ClNO5S MolecularWeight: 409.8838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C19H20ClNO5S/c1-9-17(11(3)22)10(2)21-18(9)19(25)12(4)26-16(24)8-5-13(23)14-6-7-15(20)27-14/h6-7,12,21H,5,8H2,1-4H3/t12-/m1/s1