2-[(5S)-2-(3-nitrophenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoate

Systemtic Name: 2-[(5S)-2-(3-nitrophenyl)imino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-yl]ethanoate Openeye Name: 2-[(5S)-3-allyl-2-(3-nitrophenyl)imino-4-oxo-thiazolidin-5-yl]acetate CAS Name: 2-[(5S)-2-(3-nitrophenyl)imino-4-oxo-3-prop-2-enyl-5-thiazolidinyl]acetate IUPAC Name: 2-[(5S)-2-(3-nitrophenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetate Traditional Name: 2-[(5S)-3-allyl-4-keto-2-(3-nitrophenyl)imino-thiazolidin-5-yl]acetate Formula: C14H12N3O5S- MolecularWeight: 334.32718

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(SC1=NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)[O-]

Isomeric SMILES

C=CCN1C(=O)[C@@H](SC1=NC2=CC(=CC=C2)[N+](=O)[O-])CC(=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-2-6-16-13(20)11(8-12(18)19)23-14(16)15-9-4-3-5-10(7-9)17(21)22/h2-5,7,11H,1,6,8H2,(H,18,19)/p-1/t11-/m0/s1