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

Systemtic Name: ethyl 3-methyl-5-(2-methylpropanoylamino)-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-(2-methylpropanoylamino)-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-[(2-methyl-1-oxopropyl)amino]-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(2-methylpropanoylamino)-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-(isobutyrylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S2/c1-5-18-13(17)10-8(4)9(19-6-14)12(20-10)15-11(16)7(2)3/h7H,5H2,1-4H3,(H,15,16)