3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-isothiochromen-1-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-7,8-dimethoxy-isothiochromen-1-one Openeye Name: 3-(azepane-1-carbonyl)-7,8-dimethoxy-isothiochromen-1-one CAS Name: 3-[1-azepanyl(oxo)methyl]-7,8-dimethoxy-2-benzothiopyran-1-one IUPAC Name: 3-(azepane-1-carbonyl)-7,8-dimethoxyisothiochromen-1-one Traditional Name: 3-(azepane-1-carbonyl)-7,8-dimethoxy-isothiochromen-1-one Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C18H21NO4S/c1-22-13-8-7-12-11-14(24-18(21)15(12)16(13)23-2)17(20)19-9-5-3-4-6-10-19/h7-8,11H,3-6,9-10H2,1-2H3