1-[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CC2(CCCCC2)C(=O)O)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CC2(CCCCC2)C(=O)O)C)SC#N

InChI

InChI=1S/C18H22N2O3S/c1-12-8-14(24-11-19)9-13(2)16(12)20-15(21)10-18(17(22)23)6-4-3-5-7-18/h8-9H,3-7,10H2,1-2H3,(H,20,21)(H,22,23)