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

Systemtic Name: 4-[(E)-(3-benzamido-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-(3-benzamido-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-(3-benzamido-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-(3-benzamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-(3-benzamido-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C18H12N3O6S2- MolecularWeight: 430.43438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O6S2/c1-27-13-8-10(7-12(15(13)22)21(25)26)9-14-17(24)20(18(28)29-14)19-16(23)11-5-3-2-4-6-11/h2-9,22H,1H3,(H,19,23)/p-1/b14-9+