methyl 4-[4-[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]butyl]benzoate

Systemtic Name: methyl 4-[4-[5-butyl-4-oxidanylidene-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]butyl]benzoate Openeye Name: methyl 4-[4-[5-butyl-4-oxo-2-(3-phenoxyphenyl)thiazolidin-3-yl]butyl]benzoate CAS Name: 4-[4-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-3-thiazolidinyl]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]butyl]benzoate Traditional Name: 4-[4-[5-butyl-4-keto-2-(3-phenoxyphenyl)thiazolidin-3-yl]butyl]benzoic acid methyl ester Formula: C31H35NO4S MolecularWeight: 517.6789

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CCCCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CCCCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C31H35NO4S/c1-3-4-16-28-29(33)32(21-9-8-11-23-17-19-24(20-18-23)31(34)35-2)30(37-28)25-12-10-15-27(22-25)36-26-13-6-5-7-14-26/h5-7,10,12-15,17-20,22,28,30H,3-4,8-9,11,16,21H2,1-2H3