N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxidanylidene-4-thiophen-2-yl-butanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-4-(2-thienyl)butanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-keto-4-(2-thienyl)butyramide Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCC(=O)C3=CC=CS3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCC(=O)C3=CC=CS3)Cl)OC1

InChI

InChI=1S/C18H18ClNO4S/c19-13-9-12(10-15-18(13)24-7-2-6-23-15)11-20-17(22)5-4-14(21)16-3-1-8-25-16/h1,3,8-10H,2,4-7,11H2,(H,20,22)