methyl (4Z)-3-oxidanylidene-4-(phenylmethylidene)thiolane-2-carboxylate

Systemtic Name: methyl (4Z)-3-oxidanylidene-4-(phenylmethylidene)thiolane-2-carboxylate Openeye Name: methyl (4Z)-4-benzylidene-3-oxo-tetrahydrothiophene-2-carboxylate CAS Name: (4Z)-3-oxo-4-(phenylmethylene)-2-thiolanecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-4-benzylidene-3-oxothiolane-2-carboxylate Traditional Name: (4Z)-4-benzal-3-keto-tetrahydrothiophene-2-carboxylic acid methyl ester Formula: C13H12O3S MolecularWeight: 248.29758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)C(=CC2=CC=CC=C2)CS1

Isomeric SMILES

COC(=O)C1C(=O)/C(=C/C2=CC=CC=C2)/CS1

InChI

InChI=1S/C13H12O3S/c1-16-13(15)12-11(14)10(8-17-12)7-9-5-3-2-4-6-9/h2-7,12H,8H2,1H3/b10-7+