2-[(2,6-dimethyl-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(2,6-dimethyl-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(2,6-dimethyl-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[(2,6-dimethyl-4-thiocyanatoanilino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(2,6-dimethyl-4-thiocyanatophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(2,6-dimethyl-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C2C3CC(C2C(=O)O)C=C3)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C2C3CC(C2C(=O)O)C=C3)C)SC#N

InChI

InChI=1S/C18H18N2O3S/c1-9-5-13(24-8-19)6-10(2)16(9)20-17(21)14-11-3-4-12(7-11)15(14)18(22)23/h3-6,11-12,14-15H,7H2,1-2H3,(H,20,21)(H,22,23)