1-(1,3-benzothiazol-6-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-6-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(1,3-benzothiazole-6-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid CAS Name: 1-[1,3-benzothiazol-6-yl(oxo)methyl]-4-hydroxy-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(1,3-benzothiazole-6-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid Traditional Name: 1-(1,3-benzothiazole-6-carbonyl)-4-hydroxy-proline Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)O)C(=O)C2=CC3=C(C=C2)N=CS3)O

Isomeric SMILES

C1C(CN(C1C(=O)O)C(=O)C2=CC3=C(C=C2)N=CS3)O

InChI

InChI=1S/C13H12N2O4S/c16-8-4-10(13(18)19)15(5-8)12(17)7-1-2-9-11(3-7)20-6-14-9/h1-3,6,8,10,16H,4-5H2,(H,18,19)