methyl 2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanylbenzoate

Systemtic Name: methyl 2-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]sulfanylbenzoate Openeye Name: methyl 2-[(E)-3-methoxy-3-oxo-prop-1-enyl]sulfanylbenzoate CAS Name: 2-[[(E)-3-methoxy-3-oxoprop-1-enyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-3-methoxy-3-oxoprop-1-enyl]sulfanylbenzoate Traditional Name: 2-[[(E)-3-keto-3-methoxy-prop-1-enyl]thio]benzoic acid methyl ester Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CSC1=CC=CC=C1C(=O)OC

Isomeric SMILES

COC(=O)/C=C/SC1=CC=CC=C1C(=O)OC

InChI

InChI=1S/C12H12O4S/c1-15-11(13)7-8-17-10-6-4-3-5-9(10)12(14)16-2/h3-8H,1-2H3/b8-7+