ethyl 4-cyano-5-(cyclohexylcarbamoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-(cyclohexylcarbamoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(cyclohexylcarbamoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[(cyclohexylamino)-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(cyclohexylcarbamoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(cyclohexylcarbamoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)NC2CCCCC2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)NC2CCCCC2)C#N)C

InChI

InChI=1S/C16H21N3O3S/c1-3-22-15(20)13-10(2)12(9-17)14(23-13)19-16(21)18-11-7-5-4-6-8-11/h11H,3-8H2,1-2H3,(H2,18,19,21)