methyl 2-ethanoyl-5-phenylsulfanyl-pent-4-ynoate

Systemtic Name: methyl 2-ethanoyl-5-phenylsulfanyl-pent-4-ynoate Openeye Name: methyl 2-acetyl-5-phenylsulfanyl-pent-4-ynoate CAS Name: 2-acetyl-5-(phenylthio)-4-pentynoic acid methyl ester IUPAC Name: methyl 2-acetyl-5-phenylsulfanylpent-4-ynoate Traditional Name: 2-acetyl-5-(phenylthio)pent-4-ynoic acid methyl ester Formula: C14H14O3S MolecularWeight: 262.32416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC#CSC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)C(CC#CSC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C14H14O3S/c1-11(15)13(14(16)17-2)9-6-10-18-12-7-4-3-5-8-12/h3-5,7-8,13H,9H2,1-2H3