tert-butyl 4-phenylsulfanylbut-2-ynoate

Systemtic Name: tert-butyl 4-phenylsulfanylbut-2-ynoate Openeye Name: tert-butyl 4-phenylsulfanylbut-2-ynoate CAS Name: 4-(phenylthio)-2-butynoic acid tert-butyl ester IUPAC Name: tert-butyl 4-phenylsulfanylbut-2-ynoate Traditional Name: 4-(phenylthio)but-2-ynoic acid tert-butyl ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C#CCSC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C#CCSC1=CC=CC=C1

InChI

InChI=1S/C14H16O2S/c1-14(2,3)16-13(15)10-7-11-17-12-8-5-4-6-9-12/h4-6,8-9H,11H2,1-3H3