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

Systemtic Name: methyl 11-[2-(hexanoylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-(hexanoylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-(1-oxohexylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-(hexanoylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-(caproylamino)ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NCCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCC(=O)NCCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H29NO4S/c1-3-4-5-10-22(26)25-13-14-30-23-19-9-7-6-8-18(19)16-29-21-12-11-17(15-20(21)23)24(27)28-2/h6-9,11-12,15,23H,3-5,10,13-14,16H2,1-2H3,(H,25,26)