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

Systemtic Name: methyl 3-ethyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[3-(benzenesulfonyl)propanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate CAS Name: 2-[3-(benzenesulfonyl)-1-oxopropyl]imino-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[3-(benzenesulfonyl)propanoylimino]-3-ethyl-1,3-benzothiazole-6-carboxylate Traditional Name: 2-(3-besylpropanoylimino)-3-ethyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C20H20N2O5S2 MolecularWeight: 432.5132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O5S2/c1-3-22-16-10-9-14(19(24)27-2)13-17(16)28-20(22)21-18(23)11-12-29(25,26)15-7-5-4-6-8-15/h4-10,13H,3,11-12H2,1-2H3