ethyl 3-(2-methylsulfanylethyl)-2-[2-(phenylsulfonyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-[2-(phenylsulfonyl)ethanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[2-(benzenesulfonyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[2-(benzenesulfonyl)-1-oxoethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(benzenesulfonyl)acetyl]imino-3-(2-methylsulfanylethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-besylacetyl)imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H22N2O5S3 MolecularWeight: 478.60478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S3/c1-3-28-20(25)15-9-10-17-18(13-15)30-21(23(17)11-12-29-2)22-19(24)14-31(26,27)16-7-5-4-6-8-16/h4-10,13H,3,11-12,14H2,1-2H3