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

Systemtic Name: dimethyl 2-[2-[3-butyl-5-methylsulfanyl-2-(phenylcarbonyl)pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-benzoyl-3-butyl-5-methylsulfanyl-pyrrol-1-yl)ethyl]propanedioate CAS Name: 2-[2-[2-benzoyl-3-butyl-5-(methylthio)-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-benzoyl-3-butyl-5-methylsulfanylpyrrol-1-yl)ethyl]propanedioate Traditional Name: 2-[2-[2-benzoyl-3-butyl-5-(methylthio)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=C1)SC)CCC(C(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(N(C(=C1)SC)CCC(C(=O)OC)C(=O)OC)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H29NO5S/c1-5-6-10-17-15-19(30-4)24(14-13-18(22(26)28-2)23(27)29-3)20(17)21(25)16-11-8-7-9-12-16/h7-9,11-12,15,18H,5-6,10,13-14H2,1-4H3