methyl 11-[2-(methylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[2-(methylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(methylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(methylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(methylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(methylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CNCCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

Isomeric SMILES

CNCCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H21NO3S/c1-20-9-10-24-18-15-6-4-3-5-14(15)12-23-17-8-7-13(11-16(17)18)19(21)22-2/h3-8,11,18,20H,9-10,12H2,1-2H3