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methyl 3-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]butanoate

methyl 3-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]butanoate

Systemtic Name:methyl 3-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]butanoate
Openeye Name:methyl 2-(benzylsulfanylmethyl)-3-oxo-butanoate
CAS Name:3-oxo-2-[(phenylmethylthio)methyl]butanoic acid methyl ester
IUPAC Name:methyl 2-(benzylsulfanylmethyl)-3-oxobutanoate
Traditional Name:2-[(benzylthio)methyl]-3-keto-butyric acid methyl ester
Formula: C13H16O3S
MolecularWeight: 252.32934
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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CSCC1=CC=CC=C1)C(=O)OC


Isomeric SMILES

CC(=O)C(CSCC1=CC=CC=C1)C(=O)OC


InChI

InChI=1S/C13H16O3S/c1-10(14)12(13(15)16-2)9-17-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3


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