pentyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxidanylidene-1,3-thiazolidin-3-yl]ethanoate

Systemtic Name: pentyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxidanylidene-1,3-thiazolidin-3-yl]ethanoate Openeye Name: pentyl 2-[4-oxo-2-[1-(p-tolylsulfonyl)pyrrol-2-yl]thiazolidin-3-yl]acetate CAS Name: 2-[2-[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]-4-oxo-3-thiazolidinyl]acetic acid pentyl ester IUPAC Name: pentyl 2-[2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-4-oxo-1,3-thiazolidin-3-yl]acetate Traditional Name: 2-[4-keto-2-(1-tosylpyrrol-2-yl)thiazolidin-3-yl]acetic acid amyl ester Formula: C21H26N2O5S2 MolecularWeight: 450.57154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CN1C(SCC1=O)C2=CC=CN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCOC(=O)CN1C(SCC1=O)C2=CC=CN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H26N2O5S2/c1-3-4-5-13-28-20(25)14-22-19(24)15-29-21(22)18-7-6-12-23(18)30(26,27)17-10-8-16(2)9-11-17/h6-12,21H,3-5,13-15H2,1-2H3