[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 1-(4-chlorophenyl)cyclopropanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclopropanecarboxylic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclopropanecarboxylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2(CC2)C3=CC=C(C=C3)Cl)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2(CC2)C3=CC=C(C=C3)Cl)C)SC#N

InChI

InChI=1S/C21H19ClN2O3S/c1-13-9-17(28-12-23)10-14(2)19(13)24-18(25)11-27-20(26)21(7-8-21)15-3-5-16(22)6-4-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)