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

Systemtic Name: 1-[2-[(2-bromanyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(2-bromo-4-thiocyanato-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(2-bromo-4-thiocyanatoanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(2-bromo-4-thiocyanato-anilino)-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C16H17BrN2O3S MolecularWeight: 397.28678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN2O3S/c17-12-8-11(23-10-18)4-5-13(12)19-14(20)9-16(15(21)22)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,19,20)(H,21,22)