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

Systemtic Name: (3S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxamide Openeye Name: (3S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-methyl-1-oxo-isochromane-3-carboxamide CAS Name: (3S)-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: (3S)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide Traditional Name: (3S)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-3-methyl-isochroman-3-carboxamide Formula: C20H18N2O3S MolecularWeight: 366.43352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

Isomeric SMILES

C[C@]1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=C(C4=C(S3)CCCC4)C#N

InChI

InChI=1S/C20H18N2O3S/c1-20(10-12-6-2-3-7-13(12)18(23)25-20)19(24)22-17-15(11-21)14-8-4-5-9-16(14)26-17/h2-3,6-7H,4-5,8-10H2,1H3,(H,22,24)/t20-/m0/s1