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

Systemtic Name: (E)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-2-bromo-5-methoxy-phenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C27H22BrN3O3S MolecularWeight: 548.45088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrN3O3S/c1-33-23-12-18(22(28)13-24(23)34-16-17-7-3-2-4-8-17)11-19(14-29)26(32)31-27-21(15-30)20-9-5-6-10-25(20)35-27/h2-4,7-8,11-13H,5-6,9-10,16H2,1H3,(H,31,32)/b19-11+