(3S)-1-(4-chlorophenyl)carbonyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)azepan-2-one

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)azepan-2-one Openeye Name: (3S)-1-(4-chlorobenzoyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)azepan-2-one CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-2-azepanone IUPAC Name: (3S)-1-(4-chlorobenzoyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)azepan-2-one Traditional Name: (3S)-1-(4-chlorobenzoyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylthio)azepan-2-one Formula: C21H20ClNO4S MolecularWeight: 417.9058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)SC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)SC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClNO4S/c22-15-6-4-14(5-7-15)20(24)23-10-2-1-3-19(21(23)25)28-16-8-9-17-18(13-16)27-12-11-26-17/h4-9,13,19H,1-3,10-12H2/t19-/m0/s1