methyl 3-methyl-6-oxidanylidene-3-(2-thiophen-2-ylethyl)cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: methyl 3-methyl-6-oxidanylidene-3-(2-thiophen-2-ylethyl)cyclohexa-1,4-diene-1-carboxylate Openeye Name: methyl 3-methyl-6-oxo-3-[2-(2-thienyl)ethyl]cyclohexa-1,4-diene-1-carboxylate CAS Name: 3-methyl-6-oxo-3-(2-thiophen-2-ylethyl)-1-cyclohexa-1,4-dienecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-6-oxo-3-(2-thiophen-2-ylethyl)cyclohexa-1,4-diene-1-carboxylate Traditional Name: 6-keto-3-methyl-3-[2-(2-thienyl)ethyl]cyclohexa-1,4-diene-1-carboxylic acid methyl ester Formula: C15H16O3S MolecularWeight: 276.35074

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=CC(=O)C(=C1)C(=O)OC)CCC2=CC=CS2

Isomeric SMILES

CC1(C=CC(=O)C(=C1)C(=O)OC)CCC2=CC=CS2

InChI

InChI=1S/C15H16O3S/c1-15(7-5-11-4-3-9-19-11)8-6-13(16)12(10-15)14(17)18-2/h3-4,6,8-10H,5,7H2,1-2H3