[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)ethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)ethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)acetate CAS Name: 2-(3,4-dimethylphenyl)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate Traditional Name: 2-(3,4-dimethylphenyl)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CC(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C)C

InChI

InChI=1S/C20H20N2O3S/c1-13-4-5-16(8-14(13)2)10-20(24)25-11-19(23)22-18-7-6-17(26-12-21)9-15(18)3/h4-9H,10-11H2,1-3H3,(H,22,23)