2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[(3-cyano-4-ethyl-5-methyl-2-thiophenyl)amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C2C3CC(C2C(=O)O)C=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)C2C3CC(C2C(=O)O)C=C3)C

InChI

InChI=1S/C17H18N2O3S/c1-3-11-8(2)23-16(12(11)7-18)19-15(20)13-9-4-5-10(6-9)14(13)17(21)22/h4-5,9-10,13-14H,3,6H2,1-2H3,(H,19,20)(H,21,22)