2-(1,3-benzothiazol-6-ylcarbonylamino)-3-oxidanyl-butanoic acid

Systemtic Name: 2-(1,3-benzothiazol-6-ylcarbonylamino)-3-oxidanyl-butanoic acid Openeye Name: 2-(1,3-benzothiazole-6-carbonylamino)-3-hydroxy-butanoic acid CAS Name: 2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-(1,3-benzothiazole-6-carbonylamino)-3-hydroxybutanoic acid Traditional Name: 2-(1,3-benzothiazole-6-carbonylamino)-3-hydroxy-butyric acid Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CS2)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1=CC2=C(C=C1)N=CS2)O

InChI

InChI=1S/C12H12N2O4S/c1-6(15)10(12(17)18)14-11(16)7-2-3-8-9(4-7)19-5-13-8/h2-6,10,15H,1H3,(H,14,16)(H,17,18)