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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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