methyl (E)-4-oxidanylidene-4-phenylsulfanyl-but-2-enoate

Systemtic Name: methyl (E)-4-oxidanylidene-4-phenylsulfanyl-but-2-enoate Openeye Name: methyl (E)-4-oxo-4-phenylsulfanyl-but-2-enoate CAS Name: (E)-4-oxo-4-(phenylthio)-2-butenoic acid methyl ester IUPAC Name: methyl (E)-4-oxo-4-phenylsulfanylbut-2-enoate Traditional Name: (E)-4-keto-4-(phenylthio)but-2-enoic acid methyl ester Formula: C11H10O3S MolecularWeight: 222.2603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O3S/c1-14-10(12)7-8-11(13)15-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+