N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-oxo-2-(2-thienylmethylamino)ethyl]-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N-phenyl-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-N-phenyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-keto-2-(2-thenylamino)ethyl]-N-phenyl-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)N(CC(=O)NCC3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)N(CC(=O)NCC3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N2O4S/c25-21(23-14-18-7-4-12-29-18)15-24(17-5-2-1-3-6-17)22(26)16-8-9-19-20(13-16)28-11-10-27-19/h1-9,12-13H,10-11,14-15H2,(H,23,25)