tert-butyl (Z)-4-oxidanylidene-3-phenylsulfanyl-pent-2-enoate

Systemtic Name: tert-butyl (Z)-4-oxidanylidene-3-phenylsulfanyl-pent-2-enoate Openeye Name: tert-butyl (Z)-4-oxo-3-phenylsulfanyl-pent-2-enoate CAS Name: (Z)-4-oxo-3-(phenylthio)-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (Z)-4-oxo-3-phenylsulfanylpent-2-enoate Traditional Name: (Z)-4-keto-3-(phenylthio)pent-2-enoic acid tert-butyl ester Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC(=O)OC(C)(C)C)SC1=CC=CC=C1

Isomeric SMILES

CC(=O)/C(=C/C(=O)OC(C)(C)C)/SC1=CC=CC=C1

InChI

InChI=1S/C15H18O3S/c1-11(16)13(10-14(17)18-15(2,3)4)19-12-8-6-5-7-9-12/h5-10H,1-4H3/b13-10-