methyl (2S,4S)-3-(3-nitrophenyl)carbonyl-2-pentyl-1,3-thiazolidine-4-carboxylate

Systemtic Name: methyl (2S,4S)-3-(3-nitrophenyl)carbonyl-2-pentyl-1,3-thiazolidine-4-carboxylate Openeye Name: methyl (2S,4S)-3-(3-nitrobenzoyl)-2-pentyl-thiazolidine-4-carboxylate CAS Name: (2S,4S)-3-[(3-nitrophenyl)-oxomethyl]-2-pentyl-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-3-(3-nitrobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxylate Traditional Name: (2S,4S)-2-amyl-3-(3-nitrobenzoyl)thiazolidine-4-carboxylic acid methyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1N(C(CS1)C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H]1N([C@H](CS1)C(=O)OC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O5S/c1-3-4-5-9-15-18(14(11-25-15)17(21)24-2)16(20)12-7-6-8-13(10-12)19(22)23/h6-8,10,14-15H,3-5,9,11H2,1-2H3/t14-,15+/m1/s1