propan-2-yl 4-[2,5-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrol-1-yl]benzoate

Systemtic Name: propan-2-yl 4-[2,5-bis(oxidanylidene)-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanyl-pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dioxo-3-(4-phenyl-1-piperazinyl)-4-(phenylthio)-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)-4-phenylsulfanylpyrrol-1-yl]benzoate Traditional Name: 4-[2,5-diketo-3-(4-phenylpiperazino)-4-(phenylthio)-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C30H29N3O4S MolecularWeight: 527.63396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)SC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O4S/c1-21(2)37-30(36)22-13-15-24(16-14-22)33-28(34)26(27(29(33)35)38-25-11-7-4-8-12-25)32-19-17-31(18-20-32)23-9-5-3-6-10-23/h3-16,21H,17-20H2,1-2H3