3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylamino)-3-oxo-propanoic acid CAS Name: 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylamino)-3-oxopropanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylamino)-3-keto-propionic acid Formula: C10H8N2O3S MolecularWeight: 236.24712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CC(=O)O

InChI

InChI=1S/C10H8N2O3S/c13-8(5-9(14)15)12-10-11-6-3-1-2-4-7(6)16-10/h1-4H,5H2,(H,14,15)(H,11,12,13)