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

Systemtic Name: propan-2-yl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-(pyridin-2-ylamino)pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[2,5-dioxo-3-phenylsulfanyl-4-(2-pyridylamino)pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-(phenylthio)-4-(2-pyridinylamino)-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2,5-dioxo-3-phenylsulfanyl-4-(pyridin-2-ylamino)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)-4-(2-pyridylamino)-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C25H21N3O4S MolecularWeight: 459.51694

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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)NC4=CC=CC=N4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC=N4

InChI

InChI=1S/C25H21N3O4S/c1-16(2)32-25(31)17-11-13-18(14-12-17)28-23(29)21(27-20-10-6-7-15-26-20)22(24(28)30)33-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,26,27)