[2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate

Systemtic Name: [2-[[9,10-bis(oxidanylidene)anthracen-2-yl]amino]-2-oxidanylidene-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate Openeye Name: [2-[(9,10-dioxo-2-anthryl)amino]-2-oxo-ethyl] 2-methylsulfanyl-3-phenyl-imidazole-4-carboxylate CAS Name: 2-(methylthio)-3-phenyl-4-imidazolecarboxylic acid [2-[(9,10-dioxo-2-anthracenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate Traditional Name: 2-(methylthio)-3-phenyl-imidazole-4-carboxylic acid [2-[(9,10-diketo-2-anthryl)amino]-2-keto-ethyl] ester Formula: C27H19N3O5S MolecularWeight: 497.52186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H19N3O5S/c1-36-27-28-14-22(30(27)17-7-3-2-4-8-17)26(34)35-15-23(31)29-16-11-12-20-21(13-16)25(33)19-10-6-5-9-18(19)24(20)32/h2-14H,15H2,1H3,(H,29,31)