2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H21BrN2O4S MolecularWeight: 465.36074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br)OC

InChI

InChI=1S/C20H21BrN2O4S/c1-26-14-10-11(9-13(21)18(14)27-2)7-8-16(24)23-20-17(19(22)25)12-5-3-4-6-15(12)28-20/h7-10H,3-6H2,1-2H3,(H2,22,25)(H,23,24)