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

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acrylamide Formula: C20H19BrN2O2S MolecularWeight: 431.34606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C=CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)/C=C/C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H19BrN2O2S/c1-12-3-6-14-15(11-22)20(26-18(14)9-12)23-19(24)8-5-13-4-7-17(25-2)16(21)10-13/h4-5,7-8,10,12H,3,6,9H2,1-2H3,(H,23,24)/b8-5+