1-[2,4-bis(oxidanyl)-1-propanoyl-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one

Systemtic Name: 1-[2,4-bis(oxidanyl)-1-propanoyl-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]propan-1-one Openeye Name: 1-(2,4-dihydroxy-1-propanoyl-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propan-1-one CAS Name: 1-[2,4-dihydroxy-1-(1-oxopropyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]-1-propanone IUPAC Name: 1-(2,4-dihydroxy-1-propanoyl-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propan-1-one Traditional Name: 1-(2,4-dihydroxy-1-propionyl-5,6-dihydrobenzo[b][1]benzothiepin-3-yl)propan-1-one Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C(=C2C(=C1O)CCC3=CC=CC=C3S2)C(=O)CC)O

Isomeric SMILES

CCC(=O)C1=C(C(=C2C(=C1O)CCC3=CC=CC=C3S2)C(=O)CC)O

InChI

InChI=1S/C20H20O4S/c1-3-13(21)16-18(23)12-10-9-11-7-5-6-8-15(11)25-20(12)17(19(16)24)14(22)4-2/h5-8,23-24H,3-4,9-10H2,1-2H3