2-methoxy-4-nitro-6-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate

Systemtic Name: 2-methoxy-4-nitro-6-[(E)-(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Openeye Name: 2-[(E)-(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-methoxy-4-nitro-6-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenolate IUPAC Name: 2-methoxy-4-nitro-6-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenolate Traditional Name: 2-[(E)-(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate Formula: C14H11N2O5S2- MolecularWeight: 351.37754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CC=C)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)CC=C)[O-]

InChI

InChI=1S/C14H12N2O5S2/c1-3-4-15-13(18)11(23-14(15)22)6-8-5-9(16(19)20)7-10(21-2)12(8)17/h3,5-7,17H,1,4H2,2H3/p-1/b11-6+