methyl 11-(2-azanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylate

Systemtic Name: methyl 11-(2-azanylethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylate Openeye Name: methyl 11-(2-aminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylate CAS Name: 11-(2-aminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-9-carboxylic acid methyl ester IUPAC Name: methyl 11-(2-aminoethylsulfanyl)-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylate Traditional Name: 11-(2-aminoethylthio)-6,11-dihydrobenzo[c][1]benzoxepin-9-carboxylic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(COC3=CC=CC=C3C2SCCN)C=C1

Isomeric SMILES

COC(=O)C1=CC2=C(COC3=CC=CC=C3C2SCCN)C=C1

InChI

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