methyl 3-(5-ethanoylsulfanyl-1-methoxy-1-oxidanylidene-pentan-2-yl)oxybenzoate

Systemtic Name: methyl 3-(5-ethanoylsulfanyl-1-methoxy-1-oxidanylidene-pentan-2-yl)oxybenzoate Openeye Name: methyl 3-(4-acetylsulfanyl-1-methoxycarbonyl-butoxy)benzoate CAS Name: 3-[5-(acetylthio)-1-methoxy-1-oxopentan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-(5-acetylsulfanyl-1-methoxy-1-oxopentan-2-yl)oxybenzoate Traditional Name: 3-[4-(acetylthio)-1-carbomethoxy-butoxy]benzoic acid methyl ester Formula: C16H20O6S MolecularWeight: 340.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCC(C(=O)OC)OC1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(=O)SCCCC(C(=O)OC)OC1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C16H20O6S/c1-11(17)23-9-5-8-14(16(19)21-3)22-13-7-4-6-12(10-13)15(18)20-2/h4,6-7,10,14H,5,8-9H2,1-3H3