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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-ethoxyethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-ethoxyacetate CAS Name: 2-ethoxyacetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-ethoxyacetate Traditional Name: 2-ethoxyacetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C15H18N2O4S MolecularWeight: 322.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-4-20-8-14(19)21-7-13(18)17-15-10(2)5-12(22-9-16)6-11(15)3/h5-6H,4,7-8H2,1-3H3,(H,17,18)