methyl 3-(4-butylphenyl)carbonyl-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: methyl 3-(4-butylphenyl)carbonyl-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 3-(4-butylbenzoyl)-2-(3,4-dichlorophenyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-butylphenyl)-oxomethyl]-2-(3,4-dichlorophenyl)-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-butylbenzoyl)-2-(3,4-dichlorophenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-butylbenzoyl)-2-(3,4-dichlorophenyl)thiazolidine-4-carboxylic acid methyl ester Formula: C22H23Cl2NO3S MolecularWeight: 452.39392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2C(CSC2C3=CC(=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C22H23Cl2NO3S/c1-3-4-5-14-6-8-15(9-7-14)20(26)25-19(22(27)28-2)13-29-21(25)16-10-11-17(23)18(24)12-16/h6-12,19,21H,3-5,13H2,1-2H3