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

Systemtic Name: 1-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylate Openeye Name: 1-[2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl]cyclohexanecarboxylate CAS Name: 1-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]-1-cyclohexanecarboxylate IUPAC Name: 1-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]cyclohexane-1-carboxylate Traditional Name: 1-[2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl]cyclohexanecarboxylate Formula: C17H19N2O3S- MolecularWeight: 331.40936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CC2(CCCCC2)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CC2(CCCCC2)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3S/c1-12-9-13(23-11-18)5-6-14(12)19-15(20)10-17(16(21)22)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,19,20)(H,21,22)/p-1