butyl (2S,4S)-3-(3-nitrophenyl)carbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c1-4-5-9-25-18(22)15-11-26-17(12(2)3)19(15)16(21)13-7-6-8-14(10-13)20(23)24/h6-8,10,12,15,17H,4-5,9,11H2,1-3H3/t15-,17+/m1/s1