ethyl 6-oxidanylidene-5-[2-(phenylsulfonylmethyl)-1,3-thiazol-4-yl]-2-propyl-1H-pyridine-3-carboxylate

Systemtic Name: ethyl 6-oxidanylidene-5-[2-(phenylsulfonylmethyl)-1,3-thiazol-4-yl]-2-propyl-1H-pyridine-3-carboxylate Openeye Name: ethyl 5-[2-(benzenesulfonylmethyl)thiazol-4-yl]-6-oxo-2-propyl-1H-pyridine-3-carboxylate CAS Name: 5-[2-(benzenesulfonylmethyl)-4-thiazolyl]-6-oxo-2-propyl-1H-pyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(benzenesulfonylmethyl)-1,3-thiazol-4-yl]-6-oxo-2-propyl-1H-pyridine-3-carboxylate Traditional Name: 5-[2-(besylmethyl)thiazol-4-yl]-6-keto-2-propyl-1H-pyridine-3-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=O)N1)C2=CSC(=N2)CS(=O)(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=C(C(=O)N1)C2=CSC(=N2)CS(=O)(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H22N2O5S2/c1-3-8-17-16(21(25)28-4-2)11-15(20(24)23-17)18-12-29-19(22-18)13-30(26,27)14-9-6-5-7-10-14/h5-7,9-12H,3-4,8,13H2,1-2H3,(H,23,24)