4-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)amino]butyric acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C13H16N2O4S/c1-13(2)5-7-11(8(16)6-13)20-12(14-7)15-9(17)3-4-10(18)19/h3-6H2,1-2H3,(H,18,19)(H,14,15,17)