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

Systemtic Name: 2-[(2-methyl-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(2-methyl-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[(2-methyl-4-thiocyanatoanilino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(2-methyl-4-thiocyanatophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(2-methyl-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)C2C3CC(C2C(=O)O)C=C3

InChI

InChI=1S/C17H16N2O3S/c1-9-6-12(23-8-18)4-5-13(9)19-16(20)14-10-2-3-11(7-10)15(14)17(21)22/h2-6,10-11,14-15H,7H2,1H3,(H,19,20)(H,21,22)