butyl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-(pyridin-2-ylamino)pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[2,5-bis(oxidanylidene)-3-phenylsulfanyl-4-(pyridin-2-ylamino)pyrrol-1-yl]benzoate Openeye Name: butyl 4-[2,5-dioxo-3-phenylsulfanyl-4-(2-pyridylamino)pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-(phenylthio)-4-(2-pyridinylamino)-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[2,5-dioxo-3-phenylsulfanyl-4-(pyridin-2-ylamino)pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(phenylthio)-4-(2-pyridylamino)-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C26H23N3O4S MolecularWeight: 473.54352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC=N4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC=CC=N4

InChI

InChI=1S/C26H23N3O4S/c1-2-3-17-33-26(32)18-12-14-19(15-13-18)29-24(30)22(28-21-11-7-8-16-27-21)23(25(29)31)34-20-9-5-4-6-10-20/h4-16H,2-3,17H2,1H3,(H,27,28)