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

Systemtic Name: [4-[(Z)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/SC1=S

InChI

InChI=1S/C23H22N2O5S2/c1-2-3-4-5-13-24-21(26)20(32-23(24)31)14-16-9-11-19(12-10-16)30-22(27)17-7-6-8-18(15-17)25(28)29/h6-12,14-15H,2-5,13H2,1H3/b20-14-