2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[[2-(methylthio)-1,3-benzothiazol-6-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3C4CC(C3C(=O)O)C=C4

InChI

InChI=1S/C17H16N2O3S2/c1-23-17-19-11-5-4-10(7-12(11)24-17)18-15(20)13-8-2-3-9(6-8)14(13)16(21)22/h2-5,7-9,13-14H,6H2,1H3,(H,18,20)(H,21,22)