2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide

Systemtic Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-hexoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: 2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)acrylamide Formula: C26H29N3O3S MolecularWeight: 463.59176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OC

InChI

InChI=1S/C26H29N3O3S/c1-3-4-5-8-13-32-22-12-11-18(15-23(22)31-2)14-19(16-27)25(30)29-26-21(17-28)20-9-6-7-10-24(20)33-26/h11-12,14-15H,3-10,13H2,1-2H3,(H,29,30)