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

Systemtic Name: propan-2-yl 4-[2,5-bis(oxidanylidene)-3,4-bis(phenylsulfanyl)pyrrol-1-yl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C26H21NO4S2 MolecularWeight: 475.57924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO4S2/c1-17(2)31-26(30)18-13-15-19(16-14-18)27-24(28)22(32-20-9-5-3-6-10-20)23(25(27)29)33-21-11-7-4-8-12-21/h3-17H,1-2H3