ethyl 2,2-dimethyl-4-phenylsulfanyl-but-3-ynoate

Systemtic Name: ethyl 2,2-dimethyl-4-phenylsulfanyl-but-3-ynoate Openeye Name: ethyl 2,2-dimethyl-4-phenylsulfanyl-but-3-ynoate CAS Name: 2,2-dimethyl-4-(phenylthio)-3-butynoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-4-phenylsulfanylbut-3-ynoate Traditional Name: 2,2-dimethyl-4-(phenylthio)but-3-ynoic acid ethyl ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16O2S/c1-4-16-13(15)14(2,3)10-11-17-12-8-6-5-7-9-12/h5-9H,4H2,1-3H3