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

Systemtic Name: ethyl 3,4-dimethyl-2-[3-(phenylsulfonyl)propanoylimino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[3-(benzenesulfonyl)propanoylimino]-3,4-dimethyl-thiazole-5-carboxylate CAS Name: 2-[3-(benzenesulfonyl)-1-oxopropyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzenesulfonyl)propanoylimino]-3,4-dimethyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-besylpropanoylimino)-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5S2/c1-4-24-16(21)15-12(2)19(3)17(25-15)18-14(20)10-11-26(22,23)13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3