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

Systemtic Name: phenacyl 4-[3-(6-azanyl-3,5-dicyano-4-thiophen-2-yl-pyridin-2-yl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: phenacyl 4-[3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]sulfanyl]-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid phenacyl ester IUPAC Name: phenacyl 4-[3-(6-amino-3,5-dicyano-4-thiophen-2-ylpyridin-2-yl)sulfanyl-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-[[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridyl]thio]-2,5-diketo-pyrrolidino]benzoic acid phenacyl ester Formula: C30H19N5O5S2 MolecularWeight: 593.63236

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CS5)C#N

Isomeric SMILES

C1C(C(=O)N(C1=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC=CC=C3)SC4=C(C(=C(C(=N4)N)C#N)C5=CC=CS5)C#N

InChI

InChI=1S/C30H19N5O5S2/c31-14-20-26(23-7-4-12-41-23)21(15-32)28(34-27(20)33)42-24-13-25(37)35(29(24)38)19-10-8-18(9-11-19)30(39)40-16-22(36)17-5-2-1-3-6-17/h1-12,24H,13,16H2,(H2,33,34)