ethyl (2Z)-3-(2-ethoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-3-(2-ethoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-(2-ethoxyethyl)-2-(p-tolylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-(2-ethoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-3-(2-ethoxyethyl)-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-(2-ethoxyethyl)-2-tosylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOCCN\1C2=C(C=C(C=C2)C(=O)OCC)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H24N2O5S2/c1-4-27-13-12-23-18-11-8-16(20(24)28-5-2)14-19(18)29-21(23)22-30(25,26)17-9-6-15(3)7-10-17/h6-11,14H,4-5,12-13H2,1-3H3/b22-21-