methyl 11-methylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-methylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-methylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(methylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-methylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(methylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SC

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SC

InChI

InChI=1S/C17H16O3S/c1-19-17(18)11-7-8-15-14(9-11)16(21-2)13-6-4-3-5-12(13)10-20-15/h3-9,16H,10H2,1-2H3