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

Systemtic Name: [4-[(E)-(3-butyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(E)-(3-butyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(E)-(3-butyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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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-])SC1=S

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S2/c1-2-3-11-22-19(24)18(30-21(22)29)12-14-7-9-17(10-8-14)28-20(25)15-5-4-6-16(13-15)23(26)27/h4-10,12-13H,2-3,11H2,1H3/b18-12+