1-oxidanylidene-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-[3-[(phenylmethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dihydroisochromene-3-carboxamide Openeye Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-oxo-isochromane-3-carboxamide CAS Name: 1-oxo-N-[3-[oxo-[(phenylmethyl)amino]methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: N-[3-(benzylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-1-keto-isochroman-3-carboxamide Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC4=CC=CC=C4C(=O)O3)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H24N2O4S/c29-23(20-14-17-10-4-5-11-18(17)26(31)32-20)28-25-22(19-12-6-7-13-21(19)33-25)24(30)27-15-16-8-2-1-3-9-16/h1-5,8-11,20H,6-7,12-15H2,(H,27,30)(H,28,29)