S-tert-butyl (E)-2-oxidanylidene-4-phenyl-but-3-enethioate

Systemtic Name: S-tert-butyl (E)-2-oxidanylidene-4-phenyl-but-3-enethioate Openeye Name: S-tert-butyl (E)-2-oxo-4-phenyl-but-3-enethioate CAS Name: (E)-2-oxo-4-phenyl-3-butenethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl (E)-2-oxo-4-phenylbut-3-enethioate Traditional Name: (E)-2-keto-4-phenyl-but-3-enethioic acid S-tert-butyl ester Formula: C14H16O2S MolecularWeight: 248.34064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(=O)C=CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)SC(=O)C(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C14H16O2S/c1-14(2,3)17-13(16)12(15)10-9-11-7-5-4-6-8-11/h4-10H,1-3H3/b10-9+