[2-ethoxy-5-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-ethoxy-5-[(E)-(4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-ethoxy-5-[(E)-(4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-ethoxy-5-[(E)-(4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-ethoxy-5-[(E)-(4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C20H16N2O6S2 MolecularWeight: 444.48084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O6S2/c1-3-27-15-7-4-12(10-17-18(23)21-20(29)30-17)9-16(15)28-19(24)13-5-6-14(22(25)26)11(2)8-13/h4-10H,3H2,1-2H3,(H,21,23,29)/b17-10+