ethyl 3,4-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylimino-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 3,4-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylimino-1,3-thiazole-5-carboxylate Openeye Name: ethyl 3,4-dimethyl-2-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]imino-thiazole-5-carboxylate CAS Name: 3,4-dimethyl-2-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]imino-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3,4-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-thiazole-5-carboxylate Traditional Name: 3,4-dimethyl-2-(1-tosylisonipecotoyl)imino-4-thiazoline-5-carboxylic acid ethyl ester Formula: C21H27N3O5S2 MolecularWeight: 465.58618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S1)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S1)C)C

InChI

InChI=1S/C21H27N3O5S2/c1-5-29-20(26)18-15(3)23(4)21(30-18)22-19(25)16-10-12-24(13-11-16)31(27,28)17-8-6-14(2)7-9-17/h6-9,16H,5,10-13H2,1-4H3