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

Systemtic Name: 6-bromanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-oxo-isochromane-3-carboxamide CAS Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-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)-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: 6-bromo-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-1-keto-isochroman-3-carboxamide Formula: C19H15BrN2O3S MolecularWeight: 431.303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=C(C=CC(=C4)Br)C(=O)O3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=C(C=CC(=C4)Br)C(=O)O3)C#N

InChI

InChI=1S/C19H15BrN2O3S/c20-11-5-6-12-10(7-11)8-15(25-19(12)24)17(23)22-18-14(9-21)13-3-1-2-4-16(13)26-18/h5-7,15H,1-4,8H2,(H,22,23)