methyl 3-[4-[3-(4-ethyl-3-methyl-5-oxidanylidene-2H-pyrrol-1-yl)propyl]phenyl]-2-propan-2-ylsulfanyl-propanoate

Systemtic Name: methyl 3-[4-[3-(4-ethyl-3-methyl-5-oxidanylidene-2H-pyrrol-1-yl)propyl]phenyl]-2-propan-2-ylsulfanyl-propanoate Openeye Name: methyl 3-[4-[3-(4-ethyl-3-methyl-5-oxo-2H-pyrrol-1-yl)propyl]phenyl]-2-isopropylsulfanyl-propanoate CAS Name: 3-[4-[3-(4-ethyl-3-methyl-5-oxo-2H-pyrrol-1-yl)propyl]phenyl]-2-(propan-2-ylthio)propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(4-ethyl-3-methyl-5-oxo-2H-pyrrol-1-yl)propyl]phenyl]-2-propan-2-ylsulfanylpropanoate Traditional Name: 3-[4-[3-(3-ethyl-2-keto-4-methyl-3-pyrrolin-1-yl)propyl]phenyl]-2-(isopropylthio)propionic acid methyl ester Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(CN(C1=O)CCCC2=CC=C(C=C2)CC(C(=O)OC)SC(C)C)C

Isomeric SMILES

CCC1=C(CN(C1=O)CCCC2=CC=C(C=C2)CC(C(=O)OC)SC(C)C)C

InChI

InChI=1S/C23H33NO3S/c1-6-20-17(4)15-24(22(20)25)13-7-8-18-9-11-19(12-10-18)14-21(23(26)27-5)28-16(2)3/h9-12,16,21H,6-8,13-15H2,1-5H3