2-[(E)-[2-(4-methylphenyl)sulfonylimino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]-4-nitro-phenolate

Systemtic Name: 2-[(E)-[2-(4-methylphenyl)sulfonylimino-4-oxidanylidene-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]-4-nitro-phenolate Openeye Name: 2-[(E)-[3-allyl-4-oxo-2-(p-tolylsulfonylimino)thiazolidin-5-ylidene]methyl]-4-nitro-phenolate CAS Name: 2-[(E)-[2-(4-methylphenyl)sulfonylimino-4-oxo-3-prop-2-enyl-5-thiazolidinylidene]methyl]-4-nitrophenolate IUPAC Name: 2-[(E)-[2-(4-methylphenyl)sulfonylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene]methyl]-4-nitrophenolate Traditional Name: 2-[(E)-(3-allyl-4-keto-2-tosylimino-thiazolidin-5-ylidene)methyl]-4-nitro-phenolate Formula: C20H16N3O6S2- MolecularWeight: 458.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=O)C(=CC3=C(C=CC(=C3)[N+](=O)[O-])[O-])S2)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C(=O)/C(=C\C3=C(C=CC(=C3)[N+](=O)[O-])[O-])/S2)CC=C

InChI

InChI=1S/C20H17N3O6S2/c1-3-10-22-19(25)18(12-14-11-15(23(26)27)6-9-17(14)24)30-20(22)21-31(28,29)16-7-4-13(2)5-8-16/h3-9,11-12,24H,1,10H2,2H3/p-1/b18-12+,21-20?