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

Systemtic Name: 2-methylpropyl 3-(4-nitrophenyl)carbonyl-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 2-benzyl-3-(4-nitrobenzoyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-nitrophenyl)-oxomethyl]-2-(phenylmethyl)-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-benzyl-3-(4-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-benzyl-3-(4-nitrobenzoyl)thiazolidine-4-carboxylic acid isobutyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CC(C)COC(=O)C1CSC(N1C(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O5S/c1-15(2)13-29-22(26)19-14-30-20(12-16-6-4-3-5-7-16)23(19)21(25)17-8-10-18(11-9-17)24(27)28/h3-11,15,19-20H,12-14H2,1-2H3