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

Systemtic Name: 11-[2-[(2,3,4-trimethoxyphenyl)carbonylamino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Openeye Name: 11-[2-[(2,3,4-trimethoxybenzoyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid CAS Name: 11-[2-[[oxo-(2,3,4-trimethoxyphenyl)methyl]amino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid IUPAC Name: 11-[2-[(2,3,4-trimethoxybenzoyl)amino]ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid Traditional Name: 11-[2-[(2,3,4-trimethoxybenzoyl)amino]ethylthio]-6,11-dihydrobenzo[c][1]benzoxepin-2-carboxylic acid Formula: C27H27NO7S MolecularWeight: 509.57078

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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)O)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO7S/c1-32-22-11-9-19(23(33-2)24(22)34-3)26(29)28-12-13-36-25-18-7-5-4-6-17(18)15-35-21-10-8-16(27(30)31)14-20(21)25/h4-11,14,25H,12-13,15H2,1-3H3,(H,28,29)(H,30,31)