3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]ethyl]thio]propionic acid Formula: C13H14N2O4S2 MolecularWeight: 326.39126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H14N2O4S2/c1-19-8-2-3-9-10(6-8)21-13(14-9)15-11(16)7-20-5-4-12(17)18/h2-3,6H,4-5,7H2,1H3,(H,17,18)(H,14,15,16)