methyl 2-[3-(4-butylphenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]-2-(phenylsulfonyl)ethanoate

Systemtic Name: methyl 2-[3-(4-butylphenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]-2-(phenylsulfonyl)ethanoate Openeye Name: methyl 2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-thiazolidin-2-ylidene]acetate CAS Name: 2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-2-thiazolidinylidene]acetic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-2-[3-(4-butylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate Traditional Name: 2-besyl-2-[3-(4-butylphenyl)-4-keto-thiazolidin-2-ylidene]acetic acid methyl ester Formula: C22H23NO5S2 MolecularWeight: 445.55172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)CSC2=C(C(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)CSC2=C(C(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23NO5S2/c1-3-4-8-16-11-13-17(14-12-16)23-19(24)15-29-21(23)20(22(25)28-2)30(26,27)18-9-6-5-7-10-18/h5-7,9-14H,3-4,8,15H2,1-2H3