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

Systemtic Name: [2-ethoxy-4-[(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [2-ethoxy-4-[(3-ethyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-ethoxy-4-[(3-ethyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-ethoxy-4-[(3-ethyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C21H18N2O6S2 MolecularWeight: 458.50742

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC)SC1=S

Isomeric SMILES

CCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OCC)SC1=S

InChI

InChI=1S/C21H18N2O6S2/c1-3-22-19(24)18(31-21(22)30)11-13-8-9-16(17(10-13)28-4-2)29-20(25)14-6-5-7-15(12-14)23(26)27/h5-12H,3-4H2,1-2H3