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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxobutyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[2-(1-methylimidazol-2-yl)sulfanylbutanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[2-[(1-methylimidazol-2-yl)thio]butanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=NC=CN2C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C#N)SC2=NC=CN2C

InChI

InChI=1S/C17H20N4O3S2/c1-5-12(25-17-19-7-8-21(17)4)14(22)20-15-11(9-18)10(3)13(26-15)16(23)24-6-2/h7-8,12H,5-6H2,1-4H3,(H,20,22)