methyl 6-ethylsulfanyl-3-methoxy-5-oxidanylidene-cyclohepta-1,3,6-triene-1-carboxylate

Systemtic Name: methyl 6-ethylsulfanyl-3-methoxy-5-oxidanylidene-cyclohepta-1,3,6-triene-1-carboxylate Openeye Name: methyl 6-ethylsulfanyl-3-methoxy-5-oxo-cyclohepta-1,3,6-triene-1-carboxylate CAS Name: 6-(ethylthio)-3-methoxy-5-oxo-1-cyclohepta-1,3,6-trienecarboxylic acid methyl ester IUPAC Name: methyl 6-ethylsulfanyl-3-methoxy-5-oxocyclohepta-1,3,6-triene-1-carboxylate Traditional Name: 6-(ethylthio)-5-keto-3-methoxy-cyclohepta-1,3,6-triene-1-carboxylic acid methyl ester Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=CC(=CC1=O)OC)C(=O)OC

Isomeric SMILES

CCSC1=CC(=CC(=CC1=O)OC)C(=O)OC

InChI

InChI=1S/C12H14O4S/c1-4-17-11-6-8(12(14)16-3)5-9(15-2)7-10(11)13/h5-7H,4H2,1-3H3