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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-ethoxyphenoxy)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-ethoxyphenoxy)acetate CAS Name: 2-(2-ethoxyphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate Traditional Name: 2-(2-ethoxyphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=C(C=C2C)SC#N)C

Isomeric SMILES

CCOC1=CC=CC=C1OCC(=O)OCC(=O)NC2=C(C=C(C=C2C)SC#N)C

InChI

InChI=1S/C21H22N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-20(25)28-11-19(24)23-21-14(2)9-16(29-13-22)10-15(21)3/h5-10H,4,11-12H2,1-3H3,(H,23,24)