ethyl 3,4-dimethyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-2-[4-(phenylsulfonyl)butanoylimino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(benzenesulfonyl)butanoylimino]-3,4-dimethyl-thiazole-5-carboxylate CAS Name: 2-[4-(benzenesulfonyl)-1-oxobutyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)butanoylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-besylbutanoylimino)-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=O)CCCS(=O)(=O)C2=CC=CC=C2)S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=O)CCCS(=O)(=O)C2=CC=CC=C2)S1)C)C

InChI

InChI=1S/C18H22N2O5S2/c1-4-25-17(22)16-13(2)20(3)18(26-16)19-15(21)11-8-12-27(23,24)14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-12H2,1-3H3