dimethyl 2-[2-[5-methylsulfanyl-2-(phenylcarbonyl)-3-propan-2-yl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[5-methylsulfanyl-2-(phenylcarbonyl)-3-propan-2-yl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-benzoyl-3-isopropyl-5-methylsulfanyl-pyrrol-1-yl)ethyl]propanedioate CAS Name: 2-[2-[2-benzoyl-5-(methylthio)-3-propan-2-yl-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-benzoyl-5-methylsulfanyl-3-propan-2-ylpyrrol-1-yl)ethyl]propanedioate Traditional Name: 2-[2-[2-benzoyl-3-isopropyl-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C(=C1)SC)CCC(C(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=C(N(C(=C1)SC)CCC(C(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S/c1-14(2)17-13-18(29-5)23(12-11-16(21(25)27-3)22(26)28-4)19(17)20(24)15-9-7-6-8-10-15/h6-10,13-14,16H,11-12H2,1-5H3