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

Systemtic Name: methyl 11-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Openeye Name: methyl 11-[2-[(2,3,4-trimethoxybenzoyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate CAS Name: 11-[2-[[oxo-(2,3,4-trimethoxyphenyl)methyl]amino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 11-[2-[(2,3,4-trimethoxybenzoyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylate Traditional Name: 11-[2-[(2,3,4-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=C(C(=C(C=C1)C(=O)NCCSC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)NCCSC2C3=CC=CC=C3COC4=C2C=C(C=C4)C(=O)OC)OC)OC

InChI

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