methyl (E)-4,7-bis(oxidanylidene)-7-thiophen-2-yl-hept-5-enoate

Systemtic Name: methyl (E)-4,7-bis(oxidanylidene)-7-thiophen-2-yl-hept-5-enoate Openeye Name: methyl (E)-4,7-dioxo-7-(2-thienyl)hept-5-enoate CAS Name: (E)-4,7-dioxo-7-thiophen-2-yl-5-heptenoic acid methyl ester IUPAC Name: methyl (E)-4,7-dioxo-7-thiophen-2-ylhept-5-enoate Traditional Name: (E)-4,7-diketo-7-(2-thienyl)hept-5-enoic acid methyl ester Formula: C12H12O4S MolecularWeight: 252.28628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C=CC(=O)C1=CC=CS1

Isomeric SMILES

COC(=O)CCC(=O)/C=C/C(=O)C1=CC=CS1

InChI

InChI=1S/C12H12O4S/c1-16-12(15)7-5-9(13)4-6-10(14)11-3-2-8-17-11/h2-4,6,8H,5,7H2,1H3/b6-4+