2-[1-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl]cyclohexyl]acetic acid CAS Name: 2-[1-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl]cyclohexyl]acetic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-13-9-14(24-12-19)5-6-15(13)20-16(21)10-18(11-17(22)23)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,20,21)(H,22,23)