methyl 2-[[6-[2-(4-methylsulfonylphenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[6-[2-(4-methylsulfonylphenyl)ethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[[2-(4-methylsulfonylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[[2-(4-mesylphenyl)acetyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester Formula: C19H18N2O5S3 MolecularWeight: 450.55162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H18N2O5S3/c1-26-18(23)11-27-19-21-15-8-5-13(10-16(15)28-19)20-17(22)9-12-3-6-14(7-4-12)29(2,24)25/h3-8,10H,9,11H2,1-2H3,(H,20,22)