butyl 3-(4-hexylphenyl)carbonyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: butyl 3-(4-hexylphenyl)carbonyl-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 3-(4-hexylbenzoyl)-2-(3-phenoxyphenyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-hexylphenyl)-oxomethyl]-2-(3-phenoxyphenyl)-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 3-(4-hexylbenzoyl)-2-(3-phenoxyphenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-hexylbenzoyl)-2-(3-phenoxyphenyl)thiazolidine-4-carboxylic acid butyl ester Formula: C33H39NO4S MolecularWeight: 545.73206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCCCC

InChI

InChI=1S/C33H39NO4S/c1-3-5-7-9-13-25-18-20-26(21-19-25)31(35)34-30(33(36)37-22-6-4-2)24-39-32(34)27-14-12-17-29(23-27)38-28-15-10-8-11-16-28/h8,10-12,14-21,23,30,32H,3-7,9,13,22,24H2,1-2H3