2-methylpropyl 2-(2-methylpropyl)-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl 2-(2-methylpropyl)-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 2-isobutyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]thiazolidine-4-carboxylate CAS Name: 2-(2-methylpropyl)-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(2-methylpropyl)-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 2-isobutyl-3-[(E)-3-(4-nitrophenyl)acryloyl]thiazolidine-4-carboxylic acid isobutyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1N(C(CS1)C(=O)OCC(C)C)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1N(C(CS1)C(=O)OCC(C)C)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H28N2O5S/c1-14(2)11-20-22(18(13-29-20)21(25)28-12-15(3)4)19(24)10-7-16-5-8-17(9-6-16)23(26)27/h5-10,14-15,18,20H,11-13H2,1-4H3/b10-7+