methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzoate

Systemtic Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzoate Openeye Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzoate CAS Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanylmethyl)benzoate Traditional Name: 4-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)methyl]benzoic acid methyl ester Formula: C18H18O4S MolecularWeight: 330.39812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18O4S/c1-20-18(19)14-5-3-13(4-6-14)12-23-15-7-8-16-17(11-15)22-10-2-9-21-16/h3-8,11H,2,9-10,12H2,1H3