ethyl 3-(2-ethoxyethyl)-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 3-(2-ethoxyethyl)-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[3-(benzenesulfonyl)propanoylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate CAS Name: 2-[3-(benzenesulfonyl)-1-oxopropyl]imino-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzenesulfonyl)propanoylimino]-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-besylpropanoylimino)-3-(2-ethoxyethyl)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6S2/c1-3-30-14-13-25-19-11-10-17(22(27)31-4-2)16-20(19)32-23(25)24-21(26)12-15-33(28,29)18-8-6-5-7-9-18/h5-11,16H,3-4,12-15H2,1-2H3