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

Systemtic Name: tert-butyl 2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)-3-sulfanylidene-propanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[3-(2-oxo-3H-benzimidazol-1-yl)-3-thioxo-propanoyl]pyrrolidine-1-carboxylate CAS Name: 2-[1-oxo-3-(2-oxo-3H-benzimidazol-1-yl)-3-sulfanylidenepropyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(2-oxo-3H-benzimidazol-1-yl)-3-sulfanylidenepropanoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[3-(2-keto-3H-benzimidazol-1-yl)-3-thioxo-propanoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C19H23N3O4S MolecularWeight: 389.46862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)CC(=S)N2C3=CC=CC=C3NC2=O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)CC(=S)N2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C19H23N3O4S/c1-19(2,3)26-18(25)21-10-6-9-14(21)15(23)11-16(27)22-13-8-5-4-7-12(13)20-17(22)24/h4-5,7-8,14H,6,9-11H2,1-3H3,(H,20,24)