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

Systemtic Name: methyl 4-[3-(4-methylphenyl)sulfanyl-4-morpholin-4-yl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)N4CCOCC4

InChI

InChI=1S/C23H22N2O5S/c1-15-3-9-18(10-4-15)31-20-19(24-11-13-30-14-12-24)21(26)25(22(20)27)17-7-5-16(6-8-17)23(28)29-2/h3-10H,11-14H2,1-2H3