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

Systemtic Name: methyl 3-(4-butylphenyl)carbonyl-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 3-(4-butylbenzoyl)-2-(3-chlorophenyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-butylphenyl)-oxomethyl]-2-(3-chlorophenyl)-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-butylbenzoyl)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-butylbenzoyl)-2-(3-chlorophenyl)thiazolidine-4-carboxylic acid methyl ester Formula: C22H24ClNO3S MolecularWeight: 417.94886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3S/c1-3-4-6-15-9-11-16(12-10-15)20(25)24-19(22(26)27-2)14-28-21(24)17-7-5-8-18(23)13-17/h5,7-13,19,21H,3-4,6,14H2,1-2H3