methyl 3-(1,3-benzothiazol-2-yl)-2,3-bis(oxidanyl)propanoate

Systemtic Name: methyl 3-(1,3-benzothiazol-2-yl)-2,3-bis(oxidanyl)propanoate Openeye Name: methyl 3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropanoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzothiazol-2-yl)-2,3-dihydroxypropanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,3-dihydroxy-propionic acid methyl ester Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1=NC2=CC=CC=C2S1)O)O

Isomeric SMILES

COC(=O)C(C(C1=NC2=CC=CC=C2S1)O)O

InChI

InChI=1S/C11H11NO4S/c1-16-11(15)9(14)8(13)10-12-6-4-2-3-5-7(6)17-10/h2-5,8-9,13-14H,1H3