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

Systemtic Name: 2-methoxy-4-nitro-6-[(E)-[4-oxidanylidene-3-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenolate Openeye Name: 2-[(E)-(3-benzyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate CAS Name: 2-methoxy-4-nitro-6-[(E)-[4-oxo-3-(phenylmethyl)-2-sulfanylidene-5-thiazolidinylidene]methyl]phenolate IUPAC Name: 2-[(E)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-methoxy-4-nitrophenolate Traditional Name: 2-[(E)-(3-benzyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-6-methoxy-4-nitro-phenolate Formula: C18H13N2O5S2- MolecularWeight: 401.43622

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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)CC3=CC=CC=C3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H14N2O5S2/c1-25-14-9-13(20(23)24)7-12(16(14)21)8-15-17(22)19(18(26)27-15)10-11-5-3-2-4-6-11/h2-9,21H,10H2,1H3/p-1/b15-8+