tert-butyl 2-[(2-oxidanylidene-3H-benzimidazol-1-yl)carbonyl]-3-sulfanylidene-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2-oxidanylidene-3H-benzimidazol-1-yl)carbonyl]-3-sulfanylidene-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(2-oxo-3H-benzimidazole-1-carbonyl)-3-thioxo-pyrrolidine-1-carboxylate CAS Name: 2-[oxo-(2-oxo-3H-benzimidazol-1-yl)methyl]-3-sulfanylidene-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxo-3H-benzimidazole-1-carbonyl)-3-sulfanylidenepyrrolidine-1-carboxylate Traditional Name: 2-(2-keto-3H-benzimidazole-1-carbonyl)-3-thioxo-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=S)C1C(=O)N2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=S)C1C(=O)N2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H19N3O4S/c1-17(2,3)24-16(23)19-9-8-12(25)13(19)14(21)20-11-7-5-4-6-10(11)18-15(20)22/h4-7,13H,8-9H2,1-3H3,(H,18,22)