[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-yloxyethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-naphthalen-2-yloxyethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-(2-naphthyloxy)acetate CAS Name: 2-(2-naphthalenyloxy)acetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate Traditional Name: 2-(2-naphthoxy)acetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)COC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C22H18N2O4S/c1-15-10-19(29-14-23)8-9-20(15)24-21(25)12-28-22(26)13-27-18-7-6-16-4-2-3-5-17(16)11-18/h2-11H,12-13H2,1H3,(H,24,25)