[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] naphthalene-2-carboxylate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] naphthalene-2-carboxylate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S/c1-14-9-19(28-13-23)10-15(2)21(14)24-20(25)12-27-22(26)18-8-7-16-5-3-4-6-17(16)11-18/h3-11H,12H2,1-2H3,(H,24,25)