6-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide

Systemtic Name: 6-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H17BrN2O3S MolecularWeight: 445.32958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)Br)C(=O)O1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H17BrN2O3S/c1-20(9-11-8-12(21)6-7-13(11)18(24)26-20)19(25)23-17-15(10-22)14-4-2-3-5-16(14)27-17/h6-8H,2-5,9H2,1H3,(H,23,25)