methyl 3-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H25N3O3S2 MolecularWeight: 407.5501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)NC2=C(SC=C2)C(=O)OC)C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)NC2=C(SC=C2)C(=O)OC)C3CCCCC3)C

InChI

InChI=1S/C19H25N3O3S2/c1-12-13(2)22(14-7-5-4-6-8-14)19(20-12)27-11-16(23)21-15-9-10-26-17(15)18(24)25-3/h9-10,14H,4-8,11H2,1-3H3,(H,21,23)