[4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-[(3-allyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-[(3-allyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C19H14N2O6S3 MolecularWeight: 462.51926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])SC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])SC1=S

InChI

InChI=1S/C19H14N2O6S3/c1-2-11-20-18(22)16(29-19(20)28)12-13-7-9-14(10-8-13)27-30(25,26)17-6-4-3-5-15(17)21(23)24/h2-10,12H,1,11H2