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methyl 11-oxidanyl-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate

methyl 11-oxidanyl-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate

Systemtic Name:methyl 11-oxidanyl-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate
Openeye Name:methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate
CAS Name:11-hydroxy-6,11-dihydrobenzo[c][1]benzothiepin-2-carboxylic acid methyl ester
IUPAC Name:methyl 11-hydroxy-6,11-dihydrobenzo[c][1]benzothiepine-2-carboxylate
Traditional Name:11-hydroxy-6,11-dihydrobenzo[c][1]benzothiepin-2-carboxylic acid methyl ester
Formula: C16H14O3S
MolecularWeight: 286.34556
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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SCC3=CC=CC=C3C2O


Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SCC3=CC=CC=C3C2O


InChI

InChI=1S/C16H14O3S/c1-19-16(18)10-6-7-14-13(8-10)15(17)12-5-3-2-4-11(12)9-20-14/h2-8,15,17H,9H2,1H3


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