4-azanyl-2-(1,3-benzothiazol-6-ylcarbonylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(1,3-benzothiazol-6-ylcarbonylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(1,3-benzothiazole-6-carbonylamino)-4-oxo-butanoic acid CAS Name: 4-amino-2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-(1,3-benzothiazole-6-carbonylamino)-4-oxobutanoic acid Traditional Name: 4-amino-2-(1,3-benzothiazole-6-carbonylamino)-4-keto-butyric acid Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S/c13-10(16)4-8(12(18)19)15-11(17)6-1-2-7-9(3-6)20-5-14-7/h1-3,5,8H,4H2,(H2,13,16)(H,15,17)(H,18,19)