2-methylpropyl 3-(4-bromophenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl 3-(4-bromophenyl)carbonyl-2-phenyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-(4-bromobenzoyl)-2-phenyl-thiazolidine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-2-phenyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-bromobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-2-phenyl-thiazolidine-4-carboxylic acid isobutyl ester Formula: C21H22BrNO3S MolecularWeight: 448.37328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H22BrNO3S/c1-14(2)12-26-21(25)18-13-27-20(16-6-4-3-5-7-16)23(18)19(24)15-8-10-17(22)11-9-15/h3-11,14,18,20H,12-13H2,1-2H3