3-(azepan-1-yl)-6-methoxy-thiochromen-4-one

Systemtic Name: 3-(azepan-1-yl)-6-methoxy-thiochromen-4-one Openeye Name: 3-(azepan-1-yl)-6-methoxy-thiochromen-4-one CAS Name: 3-(1-azepanyl)-6-methoxy-1-benzothiopyran-4-one IUPAC Name: 3-(azepan-1-yl)-6-methoxythiochromen-4-one Traditional Name: 3-(azepan-1-yl)-6-methoxy-thiochromen-4-one Formula: C16H19NO2S MolecularWeight: 289.39256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC=C(C2=O)N3CCCCCC3

Isomeric SMILES

COC1=CC2=C(C=C1)SC=C(C2=O)N3CCCCCC3

InChI

InChI=1S/C16H19NO2S/c1-19-12-6-7-15-13(10-12)16(18)14(11-20-15)17-8-4-2-3-5-9-17/h6-7,10-11H,2-5,8-9H2,1H3