ethyl (1S,6S)-6-(3-methoxyphenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1S,6S)-6-(3-methoxyphenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(3-methoxyphenyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(3-methoxyphenyl)-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(3-methoxyphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-2-keto-6-(3-methoxyphenyl)-4-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H20O4S MolecularWeight: 356.4354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=CS2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=CS2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C20H20O4S/c1-3-24-20(22)19-16(13-6-4-7-15(10-13)23-2)11-14(12-17(19)21)18-8-5-9-25-18/h4-10,12,16,19H,3,11H2,1-2H3/t16-,19+/m1/s1