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

Systemtic Name: butyl 4-[3-morpholin-4-yl-2,5-bis(oxidanylidene)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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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=CC=C3)N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O5S/c1-2-3-15-32-25(30)18-9-11-19(12-10-18)27-23(28)21(26-13-16-31-17-14-26)22(24(27)29)33-20-7-5-4-6-8-20/h4-12H,2-3,13-17H2,1H3