ethyl 3,4-dimethyl-2-(3-methylsulfonylphenyl)carbonylimino-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-2-(3-methylsulfonylphenyl)carbonylimino-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-2-(3-methylsulfonylbenzoyl)imino-thiazole-5-carboxylate CAS Name: 3,4-dimethyl-2-[(3-methylsulfonylphenyl)-oxomethyl]imino-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-2-(3-methylsulfonylbenzoyl)imino-1,3-thiazole-5-carboxylate Traditional Name: 2-(3-mesylbenzoyl)imino-3,4-dimethyl-4-thiazoline-5-carboxylic acid ethyl ester Formula: C16H18N2O5S2 MolecularWeight: 382.45452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S2/c1-5-23-15(20)13-10(2)18(3)16(24-13)17-14(19)11-7-6-8-12(9-11)25(4,21)22/h6-9H,5H2,1-4H3