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

Systemtic Name: 2-methylpropyl 2-cyclohexyl-3-(3-nitrophenyl)carbonyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 2-cyclohexyl-3-(3-nitrobenzoyl)thiazolidine-4-carboxylate CAS Name: 2-cyclohexyl-3-[(3-nitrophenyl)-oxomethyl]-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-cyclohexyl-3-(3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-cyclohexyl-3-(3-nitrobenzoyl)thiazolidine-4-carboxylic acid isobutyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C21H28N2O5S/c1-14(2)12-28-21(25)18-13-29-20(15-7-4-3-5-8-15)22(18)19(24)16-9-6-10-17(11-16)23(26)27/h6,9-11,14-15,18,20H,3-5,7-8,12-13H2,1-2H3