[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 4-methylpentanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 4-methylpentanoate CAS Name: 4-methylpentanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 4-methylpentanoate Traditional Name: 4-methylvaleric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)OCC(=O)NC1=C(C=CS1)C#N

Isomeric SMILES

CC(C)CCC(=O)OCC(=O)NC1=C(C=CS1)C#N

InChI

InChI=1S/C13H16N2O3S/c1-9(2)3-4-12(17)18-8-11(16)15-13-10(7-14)5-6-19-13/h5-6,9H,3-4,8H2,1-2H3,(H,15,16)