ethyl 3-[4-oxidanylidene-2-[1-(phenylsulfonyl)pyrrol-2-yl]-1,3-thiazinan-3-yl]propanoate

Systemtic Name: ethyl 3-[4-oxidanylidene-2-[1-(phenylsulfonyl)pyrrol-2-yl]-1,3-thiazinan-3-yl]propanoate Openeye Name: ethyl 3-[2-[1-(benzenesulfonyl)pyrrol-2-yl]-4-oxo-1,3-thiazinan-3-yl]propanoate CAS Name: 3-[2-[1-(benzenesulfonyl)-2-pyrrolyl]-4-oxo-1,3-thiazinan-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[1-(benzenesulfonyl)pyrrol-2-yl]-4-oxo-1,3-thiazinan-3-yl]propanoate Traditional Name: 3-[2-(1-besylpyrrol-2-yl)-4-keto-1,3-thiazinan-3-yl]propionic acid ethyl ester Formula: C19H22N2O5S2 MolecularWeight: 422.51838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C(SCCC1=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCN1C(SCCC1=O)C2=CC=CN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N2O5S2/c1-2-26-18(23)10-13-20-17(22)11-14-27-19(20)16-9-6-12-21(16)28(24,25)15-7-4-3-5-8-15/h3-9,12,19H,2,10-11,13-14H2,1H3