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

Systemtic Name: 2-methylpropyl 2-tert-butyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 2-tert-butyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]thiazolidine-4-carboxylate CAS Name: 2-tert-butyl-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-tert-butyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 2-tert-butyl-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)COC(=O)C1CSC(N1C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O5S/c1-14(2)12-28-19(25)17-13-29-20(21(3,4)5)22(17)18(24)11-8-15-6-9-16(10-7-15)23(26)27/h6-11,14,17,20H,12-13H2,1-5H3/b11-8+