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

Systemtic Name: 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-4-keto-butyric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-7-5-9-10(6-8(7)2)19-13(14-9)15-11(16)3-4-12(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)(H,14,15,16)