[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] pentanoate CAS Name: pentanoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] pentanoate Traditional Name: valeric acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCC(=O)NC1=C(C=C(C=C1C)SC#N)C

Isomeric SMILES

CCCCC(=O)OCC(=O)NC1=C(C=C(C=C1C)SC#N)C

InChI

InChI=1S/C16H20N2O3S/c1-4-5-6-15(20)21-9-14(19)18-16-11(2)7-13(22-10-17)8-12(16)3/h7-8H,4-6,9H2,1-3H3,(H,18,19)