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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CN2C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=NC=CN2C)C#N)C

InChI

InChI=1S/C15H16N4O3S2/c1-4-22-14(21)12-9(2)10(7-16)13(24-12)18-11(20)8-23-15-17-5-6-19(15)3/h5-6H,4,8H2,1-3H3,(H,18,20)