[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2,4,6-trimethylphenoxy)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)C

InChI

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