propyl (2S,4S)-3-(4-bromophenyl)carbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

Systemtic Name: propyl (2S,4S)-3-(4-bromophenyl)carbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate Openeye Name: propyl (2S,4S)-3-(4-bromobenzoyl)-2-isopropyl-thiazolidine-4-carboxylate CAS Name: (2S,4S)-3-[(4-bromophenyl)-oxomethyl]-2-propan-2-yl-4-thiazolidinecarboxylic acid propyl ester IUPAC Name: propyl (2S,4S)-3-(4-bromobenzoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylate Traditional Name: (2S,4S)-3-(4-bromobenzoyl)-2-isopropyl-thiazolidine-4-carboxylic acid propyl ester Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)Br)C(C)C

Isomeric SMILES

CCCOC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC=C(C=C2)Br)C(C)C

InChI

InChI=1S/C17H22BrNO3S/c1-4-9-22-17(21)14-10-23-16(11(2)3)19(14)15(20)12-5-7-13(18)8-6-12/h5-8,11,14,16H,4,9-10H2,1-3H3/t14-,16+/m1/s1