ethyl 4-cyano-3-methyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC3=CC=CC=C3N2C)C#N)C

InChI

InChI=1S/C19H18N4O3S2/c1-4-26-18(25)16-11(2)12(9-20)17(28-16)22-15(24)10-27-19-21-13-7-5-6-8-14(13)23(19)3/h5-8H,4,10H2,1-3H3,(H,22,24)