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

Systemtic Name: methyl 4-[4-[5-butyl-4-oxidanylidene-2-(4-phenoxyphenyl)-1,3-thiazolidin-3-yl]butyl]benzoate Openeye Name: methyl 4-[4-[5-butyl-4-oxo-2-(4-phenoxyphenyl)thiazolidin-3-yl]butyl]benzoate CAS Name: 4-[4-[5-butyl-4-oxo-2-(4-phenoxyphenyl)-3-thiazolidinyl]butyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[5-butyl-4-oxo-2-(4-phenoxyphenyl)-1,3-thiazolidin-3-yl]butyl]benzoate Traditional Name: 4-[4-[5-butyl-4-keto-2-(4-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=C(C=C2)OC3=CC=CC=C3)CCCCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

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

InChI

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