N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-ethanoyl-thiophene-2-carboxamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-5-ethanoyl-thiophene-2-carboxamide Openeye Name: 5-acetyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiophene-2-carboxamide CAS Name: 5-acetyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiophene-2-carboxamide Traditional Name: 5-acetyl-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]thiophene-2-carboxamide Formula: C17H16ClNO4S MolecularWeight: 365.83124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C17H16ClNO4S/c1-10(20)14-3-4-15(24-14)17(21)19-9-11-7-12(18)16-13(8-11)22-5-2-6-23-16/h3-4,7-8H,2,5-6,9H2,1H3,(H,19,21)