ethyl (2Z)-3-(2-ethoxyethyl)-2-(phenylsulfonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-3-(2-ethoxyethyl)-2-(phenylsulfonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-2-(benzenesulfonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-(benzenesulfonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(benzenesulfonylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-besylimino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S2/c1-3-26-13-12-22-17-11-10-15(19(23)27-4-2)14-18(17)28-20(22)21-29(24,25)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3/b21-20-