1-[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C18H22N2O3S/c1-13-10-14(24-12-19)6-7-15(13)20-16(21)11-18(17(22)23)8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,21)(H,22,23)