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

Systemtic Name: methyl 2-cyclohexyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 2-cyclohexyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]thiazolidine-4-carboxylate CAS Name: 2-cyclohexyl-3-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-cyclohexyl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: 2-cyclohexyl-3-[(E)-3-(4-nitrophenyl)acryloyl]thiazolidine-4-carboxylic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CSC(N1C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

COC(=O)C1CSC(N1C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C20H24N2O5S/c1-27-20(24)17-13-28-19(15-5-3-2-4-6-15)21(17)18(23)12-9-14-7-10-16(11-8-14)22(25)26/h7-12,15,17,19H,2-6,13H2,1H3/b12-9+