[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate CAS Name: 5-bicyclo[2.2.1]hept-2-enecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] bicyclo[2.2.1]hept-2-ene-5-carboxylate Traditional Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2CC3CC2C=C3

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2CC3CC2C=C3

InChI

InChI=1S/C17H19NO3S/c1-22-15-5-3-2-4-14(15)18-16(19)10-21-17(20)13-9-11-6-7-12(13)8-11/h2-7,11-13H,8-10H2,1H3,(H,18,19)