2-methylpropyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzimidazole-1-carboxylate

Systemtic Name: 2-methylpropyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzimidazole-1-carboxylate Openeye Name: isobutyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzimidazole-1-carboxylate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]-1-benzimidazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzimidazole-1-carboxylate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzimidazole-1-carboxylic acid isobutyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N(C)C

Isomeric SMILES

CC(C)COC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N(C)C

InChI

InChI=1S/C16H21N3O3S/c1-11(2)9-22-16(21)19-13-8-6-5-7-12(13)17-15(19)23-10-14(20)18(3)4/h5-8,11H,9-10H2,1-4H3