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

Systemtic Name: (E)-3-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-ethoxy-5-methoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-ethoxy-5-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C#N)C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C#N)OC

InChI

InChI=1S/C22H20BrN3O3S/c1-3-29-20-17(23)9-13(10-18(20)28-2)8-14(11-24)21(27)26-22-16(12-25)15-6-4-5-7-19(15)30-22/h8-10H,3-7H2,1-2H3,(H,26,27)/b14-8+