[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxynaphthalene-1-carboxylate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 4-methoxynaphthalene-1-carboxylate CAS Name: 4-methoxy-1-naphthalenecarboxylic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate Traditional Name: 4-methoxynaphthalene-1-carboxylic 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)C2=CC=C(C3=CC=CC=C32)OC

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)C2=CC=C(C3=CC=CC=C32)OC

InChI

InChI=1S/C22H18N2O4S/c1-14-11-15(29-13-23)7-9-19(14)24-21(25)12-28-22(26)18-8-10-20(27-2)17-6-4-3-5-16(17)18/h3-11H,12H2,1-2H3,(H,24,25)