ethyl 4-phenyl-4-phenylsulfanyl-pent-2-ynoate

Systemtic Name: ethyl 4-phenyl-4-phenylsulfanyl-pent-2-ynoate Openeye Name: ethyl 4-phenyl-4-phenylsulfanyl-pent-2-ynoate CAS Name: 4-phenyl-4-(phenylthio)-2-pentynoic acid ethyl ester IUPAC Name: ethyl 4-phenyl-4-phenylsulfanylpent-2-ynoate Traditional Name: 4-phenyl-4-(phenylthio)pent-2-ynoic acid ethyl ester Formula: C19H18O2S MolecularWeight: 310.41002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C)(C1=CC=CC=C1)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C#CC(C)(C1=CC=CC=C1)SC2=CC=CC=C2

InChI

InChI=1S/C19H18O2S/c1-3-21-18(20)14-15-19(2,16-10-6-4-7-11-16)22-17-12-8-5-9-13-17/h4-13H,3H2,1-2H3