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

Systemtic Name: propyl 2-[3-morpholin-4-yl-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: propyl 2-(3-morpholino-2,5-dioxo-4-phenylsulfanyl-pyrrol-1-yl)benzoate CAS Name: 2-[3-(4-morpholinyl)-2,5-dioxo-4-(phenylthio)-1-pyrrolyl]benzoic acid propyl ester IUPAC Name: propyl 2-(3-morpholin-4-yl-2,5-dioxo-4-phenylsulfanylpyrrol-1-yl)benzoate Traditional Name: 2-[2,5-diketo-3-morpholino-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid propyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C24H24N2O5S/c1-2-14-31-24(29)18-10-6-7-11-19(18)26-22(27)20(25-12-15-30-16-13-25)21(23(26)28)32-17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3