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

Systemtic Name: [2-ethoxy-4-[(Z)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [2-ethoxy-4-[(Z)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-ethoxy-4-[(Z)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C19H14N2O6S2 MolecularWeight: 430.45426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=O)NC(=S)S2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)NC(=S)S2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N2O6S2/c1-2-26-15-8-11(9-16-17(22)20-19(28)29-16)6-7-14(15)27-18(23)12-4-3-5-13(10-12)21(24)25/h3-10H,2H2,1H3,(H,20,22,28)/b16-9-