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

Systemtic Name: butyl 4-[3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-morpholino-2,5-dioxo-4-(p-tolylsulfanyl)pyrrol-1-yl]benzoate CAS Name: 4-[3-[(4-methylphenyl)thio]-4-(4-morpholinyl)-2,5-dioxo-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-morpholino-4-(p-tolylthio)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5S/c1-3-4-15-33-26(31)19-7-9-20(10-8-19)28-24(29)22(27-13-16-32-17-14-27)23(25(28)30)34-21-11-5-18(2)6-12-21/h5-12H,3-4,13-17H2,1-2H3