5-phenyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-oxathiine-6-carboxamide

Systemtic Name: 5-phenyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Openeye Name: 5-phenyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-oxathiine-6-carboxamide CAS Name: N-[3-[oxo-(3-pyridinylmethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-5-phenyl-2,3-dihydro-1,4-oxathiin-6-carboxamide IUPAC Name: 5-phenyl-N-[3-(pyridin-3-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2,3-dihydro-1,4-oxathiine-6-carboxamide Traditional Name: 5-phenyl-N-[3-(3-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2,3-dihydro-1,4-oxathiin-6-carboxamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(SCCO3)C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(SCCO3)C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C26H25N3O3S2/c30-24(28-16-17-7-6-12-27-15-17)21-19-10-4-5-11-20(19)34-26(21)29-25(31)22-23(33-14-13-32-22)18-8-2-1-3-9-18/h1-3,6-9,12,15H,4-5,10-11,13-14,16H2,(H,28,30)(H,29,31)