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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)C

InChI

InChI=1S/C21H22N2O5S2/c1-3-28-20(25)15-11-12-17-18(14-15)29-21(23(17)2)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