(2-oxidanyl-1-propanoyl-5,6-dihydrobenzo[b][1]benzothiepin-4-yl) propanoate

Systemtic Name: (2-oxidanyl-1-propanoyl-5,6-dihydrobenzo[b][1]benzothiepin-4-yl) propanoate Openeye Name: (2-hydroxy-1-propanoyl-5,6-dihydrobenzo[b][1]benzothiepin-4-yl) propanoate CAS Name: propanoic acid [2-hydroxy-1-(1-oxopropyl)-5,6-dihydrobenzo[b][1]benzothiepin-4-yl] ester IUPAC Name: (2-hydroxy-1-propanoyl-5,6-dihydrobenzo[b][1]benzothiepin-4-yl) propanoate Traditional Name: propionic acid (2-hydroxy-1-propionyl-5,6-dihydrobenzo[b][1]benzothiepin-4-yl) ester Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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