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

Systemtic Name: [4-[(E)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-(3-hexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-(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=C(C=C3)[N+](=O)[O-])SC1=S

Isomeric SMILES

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

InChI

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