(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) ethanoate

Systemtic Name: (3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) ethanoate Openeye Name: (3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) acetate CAS Name: acetic acid [3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl] ester IUPAC Name: (3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl) acetate Traditional Name: acetic acid [3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl] ester Formula: C17H16O2S2 MolecularWeight: 316.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC2=CC=CC=C2SC3=C1C=C(C=C3)SC

Isomeric SMILES

CC(=O)OC1CC2=CC=CC=C2SC3=C1C=C(C=C3)SC

InChI

InChI=1S/C17H16O2S2/c1-11(18)19-15-9-12-5-3-4-6-16(12)21-17-8-7-13(20-2)10-14(15)17/h3-8,10,15H,9H2,1-2H3