methyl 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(6-acetamido-1,3-benzothiazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-acetamido-1,3-benzothiazol-2-yl)thio]acetic acid methyl ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)SCC(=O)OC

InChI

InChI=1S/C12H12N2O3S2/c1-7(15)13-8-3-4-9-10(5-8)19-12(14-9)18-6-11(16)17-2/h3-5H,6H2,1-2H3,(H,13,15)