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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-chloranyl-2,6-dimethyl-phenoxy)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(4-chloro-2,6-dimethyl-phenoxy)acetate CAS Name: 2-(4-chloro-2,6-dimethylphenoxy)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate Traditional Name: 2-(4-chloro-2,6-dimethyl-phenoxy)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)C)Cl

InChI

InChI=1S/C20H19ClN2O4S/c1-12-8-16(28-11-22)4-5-17(12)23-18(24)9-26-19(25)10-27-20-13(2)6-15(21)7-14(20)3/h4-8H,9-10H2,1-3H3,(H,23,24)