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

Systemtic Name: [4-[(Z)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(Z)-(3-butyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C22H20N2O6S2 MolecularWeight: 472.534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(=CC2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC)SC1=S

Isomeric SMILES

CCCCN1C(=O)/C(=C/C2=CC(=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC)/SC1=S

InChI

InChI=1S/C22H20N2O6S2/c1-3-4-10-23-20(25)19(32-22(23)31)12-14-8-9-17(18(11-14)29-2)30-21(26)15-6-5-7-16(13-15)24(27)28/h5-9,11-13H,3-4,10H2,1-2H3/b19-12-