ethyl 3-(2-ethoxyethyl)-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-[4-(phenylmethyl)sulfonylbutanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-(4-benzylsulfonylbutanoylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 3-(2-ethoxyethyl)-2-[1-oxo-4-(phenylmethyl)sulfonylbutyl]imino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-benzylsulfonylbutanoylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-benzylsulfonylbutanoylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C25H30N2O6S2 MolecularWeight: 518.6455

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O6S2/c1-3-32-15-14-27-21-13-12-20(24(29)33-4-2)17-22(21)34-25(27)26-23(28)11-8-16-35(30,31)18-19-9-6-5-7-10-19/h5-7,9-10,12-13,17H,3-4,8,11,14-16,18H2,1-2H3