propyl (2S,4S)-2-(2-methylpropyl)-3-(3-nitrophenyl)carbonyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: propyl (2S,4S)-2-(2-methylpropyl)-3-(3-nitrophenyl)carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: propyl (2S,4S)-2-isobutyl-3-(3-nitrobenzoyl)thiazolidine-4-carboxylate CAS Name: (2S,4S)-2-(2-methylpropyl)-3-[(3-nitrophenyl)-oxomethyl]-4-thiazolidinecarboxylic acid propyl ester IUPAC Name: propyl (2S,4S)-2-(2-methylpropyl)-3-(3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: (2S,4S)-2-isobutyl-3-(3-nitrobenzoyl)thiazolidine-4-carboxylic acid propyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC(C)C

Isomeric SMILES

CCCOC(=O)[C@H]1CS[C@H](N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC(C)C

InChI

InChI=1S/C18H24N2O5S/c1-4-8-25-18(22)15-11-26-16(9-12(2)3)19(15)17(21)13-6-5-7-14(10-13)20(23)24/h5-7,10,12,15-16H,4,8-9,11H2,1-3H3/t15-,16+/m1/s1