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

Systemtic Name: methyl 2-[11-(2-azanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]ethanoate Openeye Name: methyl 2-[11-(2-aminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate CAS Name: 2-[11-(2-aminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester IUPAC Name: methyl 2-[11-(2-aminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetate Traditional Name: 2-[11-(2-aminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-2-yl]acetic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN

Isomeric SMILES

COC(=O)CC1=CC2=C(C=C1)OCC3=CC=CC=C3C2SCCN

InChI

InChI=1S/C19H21NO3S/c1-22-18(21)11-13-6-7-17-16(10-13)19(24-9-8-20)15-5-3-2-4-14(15)12-23-17/h2-7,10,19H,8-9,11-12,20H2,1H3