[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-ethanoylphenoxy)ethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3-ethanoylphenoxy)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(3-acetylphenoxy)acetate CAS Name: 2-(3-acetylphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(3-acetylphenoxy)acetate Traditional Name: 2-(3-acetylphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)COC2=CC=CC(=C2)C(=O)C)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)COC2=CC=CC(=C2)C(=O)C)C)SC#N

InChI

InChI=1S/C21H20N2O5S/c1-13-7-18(29-12-22)8-14(2)21(13)23-19(25)10-28-20(26)11-27-17-6-4-5-16(9-17)15(3)24/h4-9H,10-11H2,1-3H3,(H,23,25)