methyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-(4-chlorophenyl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-(4-chlorophenyl)sulfonylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H17ClN2O5S2 MolecularWeight: 440.92098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)C(=O)OC)SC1=NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COCCN\1C2=C(C=C(C=C2)C(=O)OC)S/C1=N\S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClN2O5S2/c1-25-10-9-21-15-8-3-12(17(22)26-2)11-16(15)27-18(21)20-28(23,24)14-6-4-13(19)5-7-14/h3-8,11H,9-10H2,1-2H3/b20-18-