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

Systemtic Name: [4-[(E)-(3-hexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-(3-hexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-(3-hexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C24H25NO4S2 MolecularWeight: 455.5896

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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)OC)SC1=S

Isomeric SMILES

CCCCCCN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)/SC1=S

InChI

InChI=1S/C24H25NO4S2/c1-3-4-5-6-15-25-22(26)21(31-24(25)30)16-17-7-11-20(12-8-17)29-23(27)18-9-13-19(28-2)14-10-18/h7-14,16H,3-6,15H2,1-2H3/b21-16+