ethyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxidanylidene-1,3-thiazinan-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxidanylidene-1,3-thiazinan-3-yl]ethanoate Openeye Name: ethyl 2-[4-oxo-2-[1-(p-tolylsulfonyl)pyrrol-2-yl]-1,3-thiazinan-3-yl]acetate CAS Name: 2-[2-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-4-oxo-1,3-thiazinan-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxo-1,3-thiazinan-3-yl]acetate Traditional Name: 2-[4-keto-2-(1-tosylpyrrol-2-yl)-1,3-thiazinan-3-yl]acetic acid ethyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(SCCC1=O)C2=CC=CN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN1C(SCCC1=O)C2=CC=CN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H22N2O5S2/c1-3-26-18(23)13-20-17(22)10-12-27-19(20)16-5-4-11-21(16)28(24,25)15-8-6-14(2)7-9-15/h4-9,11,19H,3,10,12-13H2,1-2H3