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

Systemtic Name: 1-(2-oxidanyl-4-propoxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)propan-1-one Openeye Name: 1-(2-hydroxy-4-propoxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)propan-1-one CAS Name: 1-(2-hydroxy-4-propoxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)-1-propanone IUPAC Name: 1-(2-hydroxy-4-propoxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)propan-1-one Traditional Name: 1-(2-hydroxy-4-propoxy-5,6-dihydrobenzo[b][1]benzothiepin-1-yl)propan-1-one Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C2CCC3=CC=CC=C3SC2=C(C(=C1)O)C(=O)CC

Isomeric SMILES

CCCOC1=C2CCC3=CC=CC=C3SC2=C(C(=C1)O)C(=O)CC

InChI

InChI=1S/C20H22O3S/c1-3-11-23-17-12-16(22)19(15(21)4-2)20-14(17)10-9-13-7-5-6-8-18(13)24-20/h5-8,12,22H,3-4,9-11H2,1-2H3