[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] 4-[3-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] 4-[3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] 4-[3-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C31H21N5O7S MolecularWeight: 607.59274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CO5)C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)CC(C3=O)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CO5)C#N

InChI

InChI=1S/C31H21N5O7S/c1-41-23-6-3-2-5-19(23)22(37)16-43-31(40)17-8-10-18(11-9-17)36-26(38)13-25(30(36)39)44-29-21(15-33)27(24-7-4-12-42-24)20(14-32)28(34)35-29/h2-12,25H,13,16H2,1H3,(H2,34,35)