ethyl 2-[3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: ethyl 2-[3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 2-[3-morpholino-2,5-dioxo-4-(p-tolylsulfanyl)pyrrol-1-yl]benzoate CAS Name: 2-[3-[(4-methylphenyl)thio]-4-(4-morpholinyl)-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 2-[2,5-diketo-3-morpholino-4-(p-tolylthio)-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O5S/c1-3-31-24(29)18-6-4-5-7-19(18)26-22(27)20(25-12-14-30-15-13-25)21(23(26)28)32-17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3