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

Systemtic Name: methyl 2-[[6-[3-(phenylsulfonyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[6-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[6-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1,3-benzothiazol-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[6-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-(3-besylpropanoylamino)-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)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O5S3/c1-26-18(23)12-27-19-21-15-8-7-13(11-16(15)28-19)20-17(22)9-10-29(24,25)14-5-3-2-4-6-14/h2-8,11H,9-10,12H2,1H3,(H,20,22)