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

Systemtic Name: 2-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]acetic acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S2/c1-7-3-9-10(4-8(7)2)20-13(14-9)15-11(16)5-19-6-12(17)18/h3-4H,5-6H2,1-2H3,(H,17,18)(H,14,15,16)