[2-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate

Systemtic Name: [2-methoxy-4-[(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate Openeye Name: [2-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-methoxy-4-[(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C18H12N2O6S2 MolecularWeight: 416.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O6S2/c1-25-14-8-10(9-15-16(21)19-18(27)28-15)2-7-13(14)26-17(22)11-3-5-12(6-4-11)20(23)24/h2-9H,1H3,(H,19,21,27)