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

Systemtic Name: 1-[2-oxidanylidene-2-[(4-thiocyanatophenyl)amino]ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-oxo-2-(4-thiocyanatoanilino)ethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-(4-thiocyanatoanilino)ethyl]cycloheptanecarboxylic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)SC#N)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC=C(C=C2)SC#N)C(=O)O

InChI

InChI=1S/C17H20N2O3S/c18-12-23-14-7-5-13(6-8-14)19-15(20)11-17(16(21)22)9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,19,20)(H,21,22)