[4-[(Z)-(3-butan-2-yl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] benzoate

Systemtic Name: [4-[(Z)-(3-butan-2-yl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] benzoate Openeye Name: [2-methoxy-4-[(Z)-(4-oxo-3-sec-butyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[(Z)-(4-keto-3-sec-butyl-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)SC1=S

Isomeric SMILES

CCC(C)N1C(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)/SC1=S

InChI

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