methyl 11-(2-azanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylate

Systemtic Name: methyl 11-(2-azanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylate Openeye Name: methyl 11-(2-aminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylate CAS Name: 11-(2-aminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-3-carboxylic acid methyl ester IUPAC Name: methyl 11-(2-aminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-3-carboxylate Traditional Name: 11-(2-aminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-3-carboxylic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(C3=CC=CC=C3CO2)SCCN

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(C3=CC=CC=C3CO2)SCCN

InChI

InChI=1S/C18H19NO3S/c1-21-18(20)12-6-7-15-16(10-12)22-11-13-4-2-3-5-14(13)17(15)23-9-8-19/h2-7,10,17H,8-9,11,19H2,1H3