(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H17ClO5S MolecularWeight: 380.84258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H17ClO5S/c1-21-15-9-12(25-2)3-4-13(15)18(20)24-10-11-7-14(19)17-16(8-11)22-5-6-23-17/h3-4,7-9H,5-6,10H2,1-2H3