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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,6-dimethylphenoxy)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2,6-dimethylphenoxy)acetate CAS Name: 2-(2,6-dimethylphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2,6-dimethylphenoxy)acetate Traditional Name: 2-(2,6-dimethylphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC(=O)OCC(=O)NC2=C(C=C(C=C2C)SC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC(=O)OCC(=O)NC2=C(C=C(C=C2C)SC#N)C

InChI

InChI=1S/C21H22N2O4S/c1-13-6-5-7-14(2)21(13)27-11-19(25)26-10-18(24)23-20-15(3)8-17(28-12-22)9-16(20)4/h5-9H,10-11H2,1-4H3,(H,23,24)