methyl (2Z)-3-(2-methoxyethyl)-2-(phenylsulfonylimino)-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl (2Z)-3-(2-methoxyethyl)-2-(phenylsulfonylimino)-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-2-(benzenesulfonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-(benzenesulfonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-(benzenesulfonylimino)-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-besylimino-3-(2-methoxyethyl)-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5S2/c1-24-11-10-20-15-9-8-13(17(21)25-2)12-16(15)26-18(20)19-27(22,23)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3/b19-18-