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

Systemtic Name: (4S)-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Openeye Name: (4S)-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]thiazolidine-4-carboxylate CAS Name: (4S)-3-[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]-4-thiazolidinecarboxylate IUPAC Name: (4S)-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxylate Traditional Name: (4S)-3-[(E)-3-(3-nitrophenyl)acryloyl]thiazolidine-4-carboxylate Formula: C13H11N2O5S- MolecularWeight: 307.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CS1)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H12N2O5S/c16-12(14-8-21-7-11(14)13(17)18)5-4-9-2-1-3-10(6-9)15(19)20/h1-6,11H,7-8H2,(H,17,18)/p-1/b5-4+/t11-/m1/s1