methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoate Openeye Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoate CAS Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzoate Traditional Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]benzoic acid methyl ester Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H16O4S/c1-19-17(18)13-4-2-3-12(9-13)11-22-14-5-6-15-16(10-14)21-8-7-20-15/h2-6,9-10H,7-8,11H2,1H3