5-azanyl-2-(1,3-benzothiazol-6-ylcarbonylamino)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-(1,3-benzothiazol-6-ylcarbonylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-(1,3-benzothiazole-6-carbonylamino)-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-(1,3-benzothiazole-6-carbonylamino)-5-oxopentanoic acid Traditional Name: 5-amino-2-(1,3-benzothiazole-6-carbonylamino)-5-keto-valeric acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NC(CCC(=O)N)C(=O)O)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NC(CCC(=O)N)C(=O)O)SC=N2

InChI

InChI=1S/C13H13N3O4S/c14-11(17)4-3-9(13(19)20)16-12(18)7-1-2-8-10(5-7)21-6-15-8/h1-2,5-6,9H,3-4H2,(H2,14,17)(H,16,18)(H,19,20)