2-[3-(2-methoxy-3H-1-benzothiophen-2-yl)-4-(5-methoxy-2-methyl-1-octadecyl-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]ethanenitrile

Systemtic Name: 2-[3-(2-methoxy-3H-1-benzothiophen-2-yl)-4-(5-methoxy-2-methyl-1-octadecyl-indol-3-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]ethanenitrile Openeye Name: 2-[3-(2-methoxy-3H-benzothiophen-2-yl)-4-(5-methoxy-2-methyl-1-octadecyl-indol-3-yl)-2,5-dioxo-pyrrol-1-yl]acetonitrile CAS Name: 2-[3-(2-methoxy-3H-1-benzothiophen-2-yl)-4-(5-methoxy-2-methyl-1-octadecyl-3-indolyl)-2,5-dioxo-1-pyrrolyl]acetonitrile IUPAC Name: 2-[3-(2-methoxy-3H-1-benzothiophen-2-yl)-4-(5-methoxy-2-methyl-1-octadecylindol-3-yl)-2,5-dioxopyrrol-1-yl]acetonitrile Traditional Name: 2-[2,5-diketo-3-(2-methoxy-3H-benzothiophen-2-yl)-4-(5-methoxy-2-methyl-1-stearyl-indol-3-yl)-3-pyrrolin-1-yl]acetonitrile Formula: C43H57N3O4S MolecularWeight: 711.99538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OC)C3=C(C(=O)N(C3=O)CC#N)C4(CC5=CC=CC=C5S4)OC)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=C(C2=C1C=CC(=C2)OC)C3=C(C(=O)N(C3=O)CC#N)C4(CC5=CC=CC=C5S4)OC)C

InChI

InChI=1S/C43H57N3O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-45-32(2)38(35-30-34(49-3)25-26-36(35)45)39-40(42(48)46(29-27-44)41(39)47)43(50-4)31-33-23-20-21-24-37(33)51-43/h20-21,23-26,30H,5-19,22,28-29,31H2,1-4H3