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

Systemtic Name: 3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: 3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: 3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: 3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C26H23BrN2O3S MolecularWeight: 523.44142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23BrN2O3S/c1-31-22-14-18(13-21(27)25(22)32-16-17-7-3-2-4-8-17)11-12-24(30)29-26-20(15-28)19-9-5-6-10-23(19)33-26/h2-4,7-8,11-14H,5-6,9-10,16H2,1H3,(H,29,30)