(2-cyanophenyl)methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: (2-cyanophenyl)methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(2-ethyl-1-oxobutyl)amino]-3-methyl-2-thiophenecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-cyano-5-(2-ethylbutanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2-ethylbutanoylamino)-3-methyl-thiophene-2-carboxylic acid (2-cyanobenzyl) ester Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2C#N)C)C#N

Isomeric SMILES

CCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OCC2=CC=CC=C2C#N)C)C#N

InChI

InChI=1S/C21H21N3O3S/c1-4-14(5-2)19(25)24-20-17(11-23)13(3)18(28-20)21(26)27-12-16-9-7-6-8-15(16)10-22/h6-9,14H,4-5,12H2,1-3H3,(H,24,25)