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

Systemtic Name: [4-[(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 3-nitrobenzoate Openeye Name: [4-[(3-cyclohexyl-4-oxo-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-5-thiazolidinylidene)methyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(3-cyclohexyl-4-keto-2-thioxo-thiazolidin-5-ylidene)methyl]-2-methoxy-phenyl] ester Formula: C24H22N2O6S2 MolecularWeight: 498.57128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)C3CCCCC3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O6S2/c1-31-20-12-15(13-21-22(27)25(24(33)34-21)17-7-3-2-4-8-17)10-11-19(20)32-23(28)16-6-5-9-18(14-16)26(29)30/h5-6,9-14,17H,2-4,7-8H2,1H3