methyl 2-[11-(phenylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate

Systemtic Name: methyl 2-[11-(phenylmethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: methyl 2-(11-benzylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepin-2-yl)acetate CAS Name: 2-[11-(phenylmethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-(11-benzylsulfanyl-6,11-dihydrobenzo[c][1]benzoxepin-2-yl)acetate Traditional Name: 2-[11-(benzylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester Formula: C24H22O3S MolecularWeight: 390.49468

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCC4=CC=CC=C4

InChI

InChI=1S/C24H22O3S/c1-26-23(25)14-18-11-12-22-21(13-18)24(28-16-17-7-3-2-4-8-17)20-10-6-5-9-19(20)15-27-22/h2-13,24H,14-16H2,1H3