[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylethanoate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylethanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-naphthyl)acetate CAS Name: 2-(2-naphthalenyl)acetic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate Traditional Name: 2-(2-naphthyl)acetic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)CC2=CC3=CC=CC=C3C=C2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)CC2=CC3=CC=CC=C3C=C2)C)SC#N

InChI

InChI=1S/C23H20N2O3S/c1-15-9-20(29-14-24)10-16(2)23(15)25-21(26)13-28-22(27)12-17-7-8-18-5-3-4-6-19(18)11-17/h3-11H,12-13H2,1-2H3,(H,25,26)