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

Systemtic Name: [4-[(Z)-(4-oxidanylidene-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Openeye Name: [4-[(Z)-(4-oxo-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-5-thiazolidinylidene)methyl]phenyl] ester IUPAC Name: [4-[(Z)-(4-oxo-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-[(Z)-(4-keto-3-phenethyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenyl] ester Formula: C25H18N2O5S2 MolecularWeight: 490.55082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])SC2=S

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])/SC2=S

InChI

InChI=1S/C25H18N2O5S2/c28-23-22(34-25(33)26(23)14-13-17-5-2-1-3-6-17)15-18-9-11-21(12-10-18)32-24(29)19-7-4-8-20(16-19)27(30)31/h1-12,15-16H,13-14H2/b22-15-