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

Systemtic Name: methyl 11-phenylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-phenylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-(phenylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-phenylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-(phenylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C22H18O3S MolecularWeight: 362.44152

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC3=CC=CC=C3C2SC4=CC=CC=C4

InChI

InChI=1S/C22H18O3S/c1-24-22(23)15-11-12-20-19(13-15)21(26-17-8-3-2-4-9-17)18-10-6-5-7-16(18)14-25-20/h2-13,21H,14H2,1H3