propan-2-yl 4-cyano-5-(heptanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-5-(heptanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-(heptanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxoheptylamino)-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-(heptanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(enanthylamino)-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N

Isomeric SMILES

CCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N

InChI

InChI=1S/C17H24N2O3S/c1-5-6-7-8-9-14(20)19-16-13(10-18)12(4)15(23-16)17(21)22-11(2)3/h11H,5-9H2,1-4H3,(H,19,20)