[2-(10-methylacridin-10-ium-9-yl)carbothioyloxyphenyl]carbonyl 2,5-bis(oxidanylidene)pyrrolidine-3-carboxylate

Systemtic Name: [2-(10-methylacridin-10-ium-9-yl)carbothioyloxyphenyl]carbonyl 2,5-bis(oxidanylidene)pyrrolidine-3-carboxylate Openeye Name: [2-(10-methylacridin-10-ium-9-carbothioyl)oxybenzoyl] 2,5-dioxopyrrolidine-3-carboxylate CAS Name: 2,5-dioxo-3-pyrrolidinecarboxylic acid [[2-[(10-methyl-9-acridin-10-iumyl)-sulfanylidenemethoxy]phenyl]-oxomethyl] ester IUPAC Name: [2-(10-methylacridin-10-ium-9-carbothioyl)oxybenzoyl] 2,5-dioxopyrrolidine-3-carboxylate Traditional Name: 2,5-diketopyrrolidine-3-carboxylic acid [2-(10-methylacridin-10-ium-9-carbothioyl)oxybenzoyl] ester Formula: C27H19N2O6S+ MolecularWeight: 499.51456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=S)OC4=CC=CC=C4C(=O)OC(=O)C5CC(=O)NC5=O

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=S)OC4=CC=CC=C4C(=O)OC(=O)C5CC(=O)NC5=O

InChI

InChI=1S/C27H18N2O6S/c1-29-19-11-5-2-8-15(19)23(16-9-3-6-12-20(16)29)27(36)34-21-13-7-4-10-17(21)25(32)35-26(33)18-14-22(30)28-24(18)31/h2-13,18H,14H2,1H3/p+1