methyl 1-methylsulfanyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylate

Systemtic Name: methyl 1-methylsulfanyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylate Openeye Name: methyl 1-methylsulfanyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylate CAS Name: 1-(methylthio)-5H-benzo[d][1,3]benzodioxocin-11-carboxylic acid methyl ester IUPAC Name: methyl 1-methylsulfanyl-5H-benzo[d][1,3]benzodioxocine-11-carboxylate Traditional Name: 1-(methylthio)-5H-benzo[d][1,3]benzodioxocin-11-carboxylic acid methyl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1OC2=CC=CC=C2CC3=C(O1)C(=CC=C3)SC

Isomeric SMILES

COC(=O)C1OC2=CC=CC=C2CC3=C(O1)C(=CC=C3)SC

InChI

InChI=1S/C17H16O4S/c1-19-16(18)17-20-13-8-4-3-6-11(13)10-12-7-5-9-14(22-2)15(12)21-17/h3-9,17H,10H2,1-2H3