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

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(4-chlorophenyl)sulfonyl-1-oxobutyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[4-(4-chlorophenyl)sulfonylbutanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C22H23ClN2O5S2 MolecularWeight: 495.01142

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H23ClN2O5S2/c1-3-25-18-12-7-15(21(27)30-4-2)14-19(18)31-22(25)24-20(26)6-5-13-32(28,29)17-10-8-16(23)9-11-17/h7-12,14H,3-6,13H2,1-2H3