2-[[(E)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-(5-bromanyl-2-oxidanyl-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[(E)-3-(5-bromo-2-hydroxy-phenyl)-2-cyano-prop-2-enoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(E)-3-(5-bromo-2-hydroxyphenyl)-2-cyano-1-oxoprop-2-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[(E)-3-(5-bromo-2-hydroxyphenyl)-2-cyanoprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[(E)-3-(5-bromo-2-hydroxy-phenyl)-2-cyano-acryloyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H16BrN3O3S MolecularWeight: 446.31764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C(=CC3=C(C=CC(=C3)Br)O)C#N)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)/C(=C/C3=C(C=CC(=C3)Br)O)/C#N)C(=O)N

InChI

InChI=1S/C19H16BrN3O3S/c20-12-5-6-14(24)10(8-12)7-11(9-21)18(26)23-19-16(17(22)25)13-3-1-2-4-15(13)27-19/h5-8,24H,1-4H2,(H2,22,25)(H,23,26)/b11-7+