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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-propan-2-ylphenoxy)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-isopropylphenoxy)acetate CAS Name: 2-(2-propan-2-ylphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate Traditional Name: 2-(2-isopropylphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)COC2=CC=CC=C2C(C)C)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)COC2=CC=CC=C2C(C)C)C)SC#N

InChI

InChI=1S/C22H24N2O4S/c1-14(2)18-7-5-6-8-19(18)27-12-21(26)28-11-20(25)24-22-15(3)9-17(29-13-23)10-16(22)4/h5-10,14H,11-12H2,1-4H3,(H,24,25)