ethyl (E)-2-oxidanylidene-4-(phenylmethylsulfanyl)but-3-enoate

Systemtic Name: ethyl (E)-2-oxidanylidene-4-(phenylmethylsulfanyl)but-3-enoate Openeye Name: ethyl (E)-4-benzylsulfanyl-2-oxo-but-3-enoate CAS Name: (E)-2-oxo-4-(phenylmethylthio)-3-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-benzylsulfanyl-2-oxobut-3-enoate Traditional Name: (E)-4-(benzylthio)-2-keto-but-3-enoic acid ethyl ester Formula: C13H14O3S MolecularWeight: 250.31346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C=CSCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(=O)/C=C/SCC1=CC=CC=C1

InChI

InChI=1S/C13H14O3S/c1-2-16-13(15)12(14)8-9-17-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+