N-(2-chlorophenyl)-9-cyano-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide

Systemtic Name: N-(2-chlorophenyl)-9-cyano-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide Openeye Name: N-(2-chlorophenyl)-9-cyano-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide CAS Name: N-(2-chlorophenyl)-9-cyano-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepin-2-carboxamide IUPAC Name: N-(2-chlorophenyl)-9-cyano-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide Traditional Name: N-(2-chlorophenyl)-9-cyano-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepin-2-carboxamide Formula: C21H15ClN2O2S MolecularWeight: 394.874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1Cl)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C#N)OCC3

Isomeric SMILES

CN(C1=CC=CC=C1Cl)C(=O)C2=CC3=C(S2)C4=C(C=CC(=C4)C#N)OCC3

InChI

InChI=1S/C21H15ClN2O2S/c1-24(17-5-3-2-4-16(17)22)21(25)19-11-14-8-9-26-18-7-6-13(12-23)10-15(18)20(14)27-19/h2-7,10-11H,8-9H2,1H3