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

Systemtic Name: 2-methylpropyl 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-pentyl-thiazolidine-4-carboxylate CAS Name: 3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-2-pentyl-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-pentyl-1,3-thiazolidine-4-carboxylate Traditional Name: 2-amyl-3-[(E)-3-(4-nitrophenyl)acryloyl]thiazolidine-4-carboxylic acid isobutyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1N(C(CS1)C(=O)OCC(C)C)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1N(C(CS1)C(=O)OCC(C)C)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H30N2O5S/c1-4-5-6-7-21-23(19(15-30-21)22(26)29-14-16(2)3)20(25)13-10-17-8-11-18(12-9-17)24(27)28/h8-13,16,19,21H,4-7,14-15H2,1-3H3/b13-10+