(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-ethoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C28H25N3O3S MolecularWeight: 483.5814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O3S/c1-2-33-25-15-20(12-13-24(25)34-18-19-8-4-3-5-9-19)14-21(16-29)27(32)31-28-23(17-30)22-10-6-7-11-26(22)35-28/h3-5,8-9,12-15H,2,6-7,10-11,18H2,1H3,(H,31,32)/b21-14+