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

Systemtic Name: butyl 4-[2,5-bis(oxidanylidene)-3,4-bis(phenylsulfanyl)pyrrol-1-yl]benzoate Openeye Name: butyl 4-[2,5-dioxo-3,4-bis(phenylsulfanyl)pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3,4-bis(phenylthio)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[2,5-dioxo-3,4-bis(phenylsulfanyl)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3,4-bis(phenylthio)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C27H23NO4S2 MolecularWeight: 489.60582

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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)SC4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C27H23NO4S2/c1-2-3-18-32-27(31)19-14-16-20(17-15-19)28-25(29)23(33-21-10-6-4-7-11-21)24(26(28)30)34-22-12-8-5-9-13-22/h4-17H,2-3,18H2,1H3