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

Systemtic Name: 2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(6-methoxycarbonyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(6-carbomethoxy-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl]thio]acetic acid Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CSCC(=O)O

InChI

InChI=1S/C13H12N2O5S2/c1-20-12(19)7-2-3-8-9(4-7)22-13(14-8)15-10(16)5-21-6-11(17)18/h2-4H,5-6H2,1H3,(H,17,18)(H,14,15,16)