ethyl 5-ethyl-2-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2C)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2C)C(=O)OCC

InChI

InChI=1S/C19H21N3O3S2/c1-4-12-10-13(18(24)25-5-2)17(27-12)21-16(23)11-26-19-20-14-8-6-7-9-15(14)22(19)3/h6-10H,4-5,11H2,1-3H3,(H,21,23)