2-methylpropyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzimidazole-1-carboxylate

Systemtic Name: 2-methylpropyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzimidazole-1-carboxylate Openeye Name: isobutyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzimidazole-1-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-1-benzimidazolecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(2-amino-2-oxoethyl)sulfanylbenzimidazole-1-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzimidazole-1-carboxylic acid isobutyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-9(2)7-20-14(19)17-11-6-4-3-5-10(11)16-13(17)21-8-12(15)18/h3-6,9H,7-8H2,1-2H3,(H2,15,18)