N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-isopropyl-1-oxo-isochromane-3-carboxamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-6-propan-2-yl-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-6-propan-2-yl-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-6-isopropyl-1-keto-isochroman-3-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)C(=O)OC(C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C22H22N2O3S/c1-12(2)13-7-8-15-14(9-13)10-18(27-22(15)26)20(25)24-21-17(11-23)16-5-3-4-6-19(16)28-21/h7-9,12,18H,3-6,10H2,1-2H3,(H,24,25)