ethyl 3-(2-methylsulfanylethyl)-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate CAS Name: 2-[(2-methylsulfonylphenyl)-oxomethyl]imino-3-[2-(methylthio)ethyl]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-methylsulfanylethyl)-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(2-mesylbenzoyl)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)C3=CC=CC=C3S(=O)(=O)C)S2)CCSC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CCSC

InChI

InChI=1S/C21H22N2O5S3/c1-4-28-20(25)14-9-10-16-17(13-14)30-21(23(16)11-12-29-2)22-19(24)15-7-5-6-8-18(15)31(3,26)27/h5-10,13H,4,11-12H2,1-3H3