2-methylpropyl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl 3-(4-methyl-3-nitro-phenyl)carbonyl-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 2-benzyl-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylate CAS Name: 3-[(4-methyl-3-nitrophenyl)-oxomethyl]-2-(phenylmethyl)-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-benzyl-3-(4-methyl-3-nitrobenzoyl)-1,3-thiazolidine-4-carboxylate Traditional Name: 2-benzyl-3-(4-methyl-3-nitro-benzoyl)thiazolidine-4-carboxylic acid isobutyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2C(CSC2CC3=CC=CC=C3)C(=O)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2C(CSC2CC3=CC=CC=C3)C(=O)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O5S/c1-15(2)13-30-23(27)20-14-31-21(11-17-7-5-4-6-8-17)24(20)22(26)18-10-9-16(3)19(12-18)25(28)29/h4-10,12,15,20-21H,11,13-14H2,1-3H3