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

Systemtic Name: 2-(1,3-benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Openeye Name: 2-(1,3-benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid CAS Name: 2-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Traditional Name: 2-(1,3-benzothiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(C(C1O2)C(=O)NC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1CC2C(C(C1O2)C(=O)NC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C15H14N2O4S/c18-13(11-8-5-6-9(21-8)12(11)14(19)20)17-15-16-7-3-1-2-4-10(7)22-15/h1-4,8-9,11-12H,5-6H2,(H,19,20)(H,16,17,18)