ethyl 5-(cyclohexylcarbonylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-(cyclohexylcarbonylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-(cyclohexanecarbonylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[cyclohexyl(oxo)methyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(cyclohexanecarbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-(cyclohexanecarbonylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCCC2)SC#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2CCCCC2)SC#N)C

InChI

InChI=1S/C16H20N2O3S2/c1-3-21-16(20)13-10(2)12(22-9-17)15(23-13)18-14(19)11-7-5-4-6-8-11/h11H,3-8H2,1-2H3,(H,18,19)