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

Systemtic Name: ethyl (1S,6S)-6-(4-ethylphenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1S,6S)-6-(4-ethylphenyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1S,6S)-6-(4-ethylphenyl)-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,6S)-6-(4-ethylphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1S,6S)-6-(4-ethylphenyl)-2-keto-4-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H22O3S MolecularWeight: 354.46258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2CC(=CC(=O)C2C(=O)OCC)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2CC(=CC(=O)[C@H]2C(=O)OCC)C3=CC=CS3

InChI

InChI=1S/C21H22O3S/c1-3-14-7-9-15(10-8-14)17-12-16(19-6-5-11-25-19)13-18(22)20(17)21(23)24-4-2/h5-11,13,17,20H,3-4,12H2,1-2H3/t17-,20+/m1/s1