propyl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-pyrrolidin-1-yl-pyrrol-1-yl]benzoate

Systemtic Name: propyl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-pyrrolidin-1-yl-pyrrol-1-yl]benzoate Openeye Name: propyl 4-(2,5-dioxo-3-phenylsulfanyl-4-pyrrolidin-1-yl-pyrrol-1-yl)benzoate CAS Name: 4-[2,5-dioxo-3-(phenylthio)-4-(1-pyrrolidinyl)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 4-(2,5-dioxo-3-phenylsulfanyl-4-pyrrolidin-1-ylpyrrol-1-yl)benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)-4-pyrrolidino-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCC4

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCCC4

InChI

InChI=1S/C24H24N2O4S/c1-2-16-30-24(29)17-10-12-18(13-11-17)26-22(27)20(25-14-6-7-15-25)21(23(26)28)31-19-8-4-3-5-9-19/h3-5,8-13H,2,6-7,14-16H2,1H3