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

Systemtic Name: [4-[(E)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-(3-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(E)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)SC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC)/SC1=S

InChI

InChI=1S/C22H21NO4S2/c1-3-4-13-23-20(24)19(29-22(23)28)14-15-5-9-18(10-6-15)27-21(25)16-7-11-17(26-2)12-8-16/h5-12,14H,3-4,13H2,1-2H3/b19-14+