ethyl 3-(2-methylsulfanylethyl)-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-[3-(phenylmethyl)sulfonylpropanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(3-benzylsulfonylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-[2-(methylthio)ethyl]-2-[1-oxo-3-(phenylmethyl)sulfonylpropyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-benzylsulfonylpropanoylimino)-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-benzylsulfonylpropanoylimino)-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H26N2O5S3 MolecularWeight: 506.65794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCS(=O)(=O)CC3=CC=CC=C3)S2)CCSC

InChI

InChI=1S/C23H26N2O5S3/c1-3-30-22(27)18-9-10-19-20(15-18)32-23(25(19)12-13-31-2)24-21(26)11-14-33(28,29)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3