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11-[2-(phenylcarbamoylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
11-[2-(phenylcarbamoylamino)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-2-carboxylic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNC(=O)NC4=CC=CC=C4
Isomeric SMILES
C1C2=CC=CC=C2C(C3=C(O1)C=CC(=C3)C(=O)O)SCCNC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C24H22N2O4S/c27-23(28)16-10-11-21-20(14-16)22(19-9-5-4-6-17(19)15-30-21)31-13-12-25-24(29)26-18-7-2-1-3-8-18/h1-11,14,22H,12-13,15H2,(H,27,28)(H2,25,26,29)
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