methyl 2-(phenylsulfanylmethyl)cyclopentene-1-carboxylate

Systemtic Name: methyl 2-(phenylsulfanylmethyl)cyclopentene-1-carboxylate Openeye Name: methyl 2-(phenylsulfanylmethyl)cyclopentene-1-carboxylate CAS Name: 2-[(phenylthio)methyl]-1-cyclopentenecarboxylic acid methyl ester IUPAC Name: methyl 2-(phenylsulfanylmethyl)cyclopentene-1-carboxylate Traditional Name: 2-[(phenylthio)methyl]cyclopentene-1-carboxylic acid methyl ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CCC1)CSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(CCC1)CSC2=CC=CC=C2

InChI

InChI=1S/C14H16O2S/c1-16-14(15)13-9-5-6-11(13)10-17-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3