2-methylpropyl (2S,4S)-2-(2-methylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate

Systemtic Name: 2-methylpropyl (2S,4S)-2-(2-methylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate Openeye Name: isobutyl (2S,4S)-2-isobutyl-3-[(E)-3-phenylprop-2-enoyl]thiazolidine-4-carboxylate CAS Name: (2S,4S)-2-(2-methylpropyl)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-4-thiazolidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2S,4S)-2-(2-methylpropyl)-3-[(E)-3-phenylprop-2-enoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: (2S,4S)-2-isobutyl-3-[(E)-3-phenylacryloyl]thiazolidine-4-carboxylic acid isobutyl ester Formula: C21H29NO3S MolecularWeight: 375.52486

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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=CC=C2

Isomeric SMILES

CC(C)C[C@H]1N([C@H](CS1)C(=O)OCC(C)C)C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H29NO3S/c1-15(2)12-20-22(18(14-26-20)21(24)25-13-16(3)4)19(23)11-10-17-8-6-5-7-9-17/h5-11,15-16,18,20H,12-14H2,1-4H3/b11-10+/t18-,20+/m1/s1