4-(2,3-dihydro-1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(2,3-dihydro-1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoic acid Openeye Name: 4-(2,3-dihydro-1,3-benzothiazol-2-ylamino)-4-oxo-butanoic acid CAS Name: 4-(2,3-dihydro-1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid IUPAC Name: 4-(2,3-dihydro-1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid Traditional Name: 4-(2,3-dihydro-1,3-benzothiazol-2-ylamino)-4-keto-butyric acid Formula: C11H12N2O3S MolecularWeight: 252.28958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(S2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C11H12N2O3S/c14-9(5-6-10(15)16)13-11-12-7-3-1-2-4-8(7)17-11/h1-4,11-12H,5-6H2,(H,13,14)(H,15,16)