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

Systemtic Name: methyl 2-[[6-[2-(4-methylphenyl)sulfonylethanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[[2-(p-tolylsulfonyl)acetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[2-(4-methylphenyl)sulfonyl-1-oxoethyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-[(2-tosylacetyl)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:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)OC

InChI

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