methyl 2-[6-methylsulfanyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfanyl-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-(methylthio)-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-benzylsulfonylpropanoylimino)-6-methylsulfanyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(3-benzylsulfonylpropanoylimino)-6-(methylthio)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S3/c1-28-20(25)13-23-17-9-8-16(29-2)12-18(17)30-21(23)22-19(24)10-11-31(26,27)14-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3