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

Systemtic Name: butyl 3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-(phenylmethyl)-1,3-thiazolidine-4-carboxylate Openeye Name: butyl 2-benzyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]thiazolidine-4-carboxylate CAS Name: 3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-2-(phenylmethyl)-4-thiazolidinecarboxylic acid butyl ester IUPAC Name: butyl 2-benzyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 2-benzyl-3-[(E)-3-(4-nitrophenyl)acryloyl]thiazolidine-4-carboxylic acid butyl ester Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CSC(N1C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1CSC(N1C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C24H26N2O5S/c1-2-3-15-31-24(28)21-17-32-23(16-19-7-5-4-6-8-19)25(21)22(27)14-11-18-9-12-20(13-10-18)26(29)30/h4-14,21,23H,2-3,15-17H2,1H3/b14-11+