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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCOCC4

InChI

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