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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methanoylphenoxy)ethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(4-formylphenoxy)acetate CAS Name: 2-(4-formylphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(4-formylphenoxy)acetate Traditional Name: 2-(4-formylphenoxy)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O5S/c1-13-7-17(28-12-21)8-14(2)20(13)22-18(24)10-27-19(25)11-26-16-5-3-15(9-23)4-6-16/h3-9H,10-11H2,1-2H3,(H,22,24)