ethyl 4-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate

Systemtic Name: ethyl 4-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate Openeye Name: ethyl 4-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-2,5-dioxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[3-(1H-benzimidazol-2-ylmethylthio)-2,5-dioxo-1-pyrrolidinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1H-benzimidazol-2-ylmethylsulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoate Traditional Name: 4-[3-(1H-benzimidazol-2-ylmethylthio)-2,5-diketo-pyrrolidino]benzoic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H19N3O4S/c1-2-28-21(27)13-7-9-14(10-8-13)24-19(25)11-17(20(24)26)29-12-18-22-15-5-3-4-6-16(15)23-18/h3-10,17H,2,11-12H2,1H3,(H,22,23)