(E)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-thiophen-2-yl)-3-[1-(phenylmethyl)indol-3-yl]prop-2-enamide Openeye Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-[1-(phenylmethyl)-3-indolyl]-2-propenamide IUPAC Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(3-cyano-4-ethyl-5-methyl-2-thienyl)acrylamide Formula: C27H22N4OS MolecularWeight: 450.55478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C#N)NC(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C#N)C

Isomeric SMILES

CCC1=C(SC(=C1C#N)NC(=O)/C(=C/C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)/C#N)C

InChI

InChI=1S/C27H22N4OS/c1-3-22-18(2)33-27(24(22)15-29)30-26(32)20(14-28)13-21-17-31(16-19-9-5-4-6-10-19)25-12-8-7-11-23(21)25/h4-13,17H,3,16H2,1-2H3,(H,30,32)/b20-13+