2-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid

Systemtic Name: 2-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 2-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid CAS Name: 2-[(2-benzo[e][1,3]benzothiazolylamino)-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid IUPAC Name: 2-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 2-(benzo[e][1,3]benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1CC2C(C(C1O2)C(=O)NC3=NC4=C(S3)C=CC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C19H16N2O4S/c22-17(14-11-6-7-12(25-11)15(14)18(23)24)21-19-20-16-10-4-2-1-3-9(10)5-8-13(16)26-19/h1-5,8,11-12,14-15H,6-7H2,(H,23,24)(H,20,21,22)