4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate IUPAC Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyrate Formula: C11H9N2O3S- MolecularWeight: 249.26576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C11H10N2O3S/c14-9(5-6-10(15)16)13-11-12-7-3-1-2-4-8(7)17-11/h1-4H,5-6H2,(H,15,16)(H,12,13,14)/p-1