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

Systemtic Name: 2-[(2-bromanyl-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(2-bromo-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[(2-bromo-4-thiocyanatoanilino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(2-bromo-4-thiocyanatophenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(2-bromo-4-thiocyanato-phenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C16H13BrN2O3S MolecularWeight: 393.25502

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C=CC1C(C2C(=O)NC3=C(C=C(C=C3)SC#N)Br)C(=O)O

Isomeric SMILES

C1C2C=CC1C(C2C(=O)NC3=C(C=C(C=C3)SC#N)Br)C(=O)O

InChI

InChI=1S/C16H13BrN2O3S/c17-11-6-10(23-7-18)3-4-12(11)19-15(20)13-8-1-2-9(5-8)14(13)16(21)22/h1-4,6,8-9,13-14H,5H2,(H,19,20)(H,21,22)