[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methanoyl-2-methoxy-phenoxy)ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-methanoyl-2-methoxy-phenoxy)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(4-formyl-2-methoxy-phenoxy)acetate CAS Name: 2-(4-formyl-2-methoxyphenoxy)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(4-formyl-2-methoxyphenoxy)acetate Traditional Name: 2-(4-formyl-2-methoxy-phenoxy)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)COC2=C(C=C(C=C2)C=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)COC2=C(C=C(C=C2)C=O)OC

InChI

InChI=1S/C20H18N2O6S/c1-13-7-15(29-12-21)4-5-16(13)22-19(24)10-28-20(25)11-27-17-6-3-14(9-23)8-18(17)26-2/h3-9H,10-11H2,1-2H3,(H,22,24)