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

Systemtic Name: ethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylbenzimidazole-1-carboxylate Openeye Name: ethyl 2-(2-amino-2-oxo-ethyl)sulfanylbenzimidazole-1-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-1-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-2-oxoethyl)sulfanylbenzimidazole-1-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]benzimidazole-1-carboxylic acid ethyl ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2N=C1SCC(=O)N

InChI

InChI=1S/C12H13N3O3S/c1-2-18-12(17)15-9-6-4-3-5-8(9)14-11(15)19-7-10(13)16/h3-6H,2,7H2,1H3,(H2,13,16)