N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-oxidanylidene-5-thiophen-2-yl-pentanamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-oxidanylidene-5-thiophen-2-yl-pentanamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-oxo-5-(2-thienyl)pentanamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-oxo-5-thiophen-2-ylpentanamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-oxo-5-thiophen-2-ylpentanamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-keto-5-(2-thienyl)valeramide Formula: C18H18ClNO4S MolecularWeight: 379.85782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)NC(=O)CCCC(=O)C3=CC=CS3)Cl)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)NC(=O)CCCC(=O)C3=CC=CS3)Cl)OC1

InChI

InChI=1S/C18H18ClNO4S/c19-12-10-15-16(24-8-3-7-23-15)11-13(12)20-18(22)6-1-4-14(21)17-5-2-9-25-17/h2,5,9-11H,1,3-4,6-8H2,(H,20,22)