methyl 3-ethyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 3-ethyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[4-(benzenesulfonyl)butanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[4-(benzenesulfonyl)-1-oxobutyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[4-(benzenesulfonyl)butanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(4-besylbutanoylimino)-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S2/c1-3-23-17-12-11-15(20(25)28-2)14-18(17)29-21(23)22-19(24)10-7-13-30(26,27)16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3