(E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-iodanyl-5-methoxy-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-iodanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-iodo-5-methoxy-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-iodo-5-methoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(3-iodo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-iodo-5-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C27H22IN3O3S MolecularWeight: 595.45135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)I)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C#N)I)OCC4=CC=CC=C4

InChI

InChI=1S/C27H22IN3O3S/c1-33-23-13-18(12-22(28)25(23)34-16-17-7-3-2-4-8-17)11-19(14-29)26(32)31-27-21(15-30)20-9-5-6-10-24(20)35-27/h2-4,7-8,11-13H,5-6,9-10,16H2,1H3,(H,31,32)/b19-11+