1-[2-oxidanylidene-2-[(4-thiocyanatophenyl)amino]ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[(4-thiocyanatophenyl)amino]ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-thiocyanatoanilino)ethyl]cyclohexanecarboxylic acid Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=CC=C(C=C2)SC#N)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=CC=C(C=C2)SC#N)C(=O)O

InChI

InChI=1S/C16H18N2O3S/c17-11-22-13-6-4-12(5-7-13)18-14(19)10-16(15(20)21)8-2-1-3-9-16/h4-7H,1-3,8-10H2,(H,18,19)(H,20,21)