3-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]benzoate

Systemtic Name: 3-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]benzoate Openeye Name: 3-[[2-(2-amino-4-oxo-thiazol-5-yl)acetyl]amino]benzoate CAS Name: 3-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-amino-4-keto-2-thiazolin-5-yl)acetyl]amino]benzoate Formula: C12H10N3O4S- MolecularWeight: 292.2905

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CC2C(=O)N=C(S2)N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CC2C(=O)N=C(S2)N)C(=O)[O-]

InChI

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