methyl 11-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate

Systemtic Name: methyl 11-[2-[(3,4,5-trimethoxyphenyl)carbonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester Formula: C28H29NO7S MolecularWeight: 523.59736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCCSC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H29NO7S/c1-32-23-14-19(15-24(33-2)25(23)34-3)27(30)29-11-12-37-26-20-8-6-5-7-18(20)16-36-22-10-9-17(13-21(22)26)28(31)35-4/h5-10,13-15,26H,11-12,16H2,1-4H3,(H,29,30)