ethyl (1R,6S)-6-[4-(diethylamino)phenyl]-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1R,6S)-6-[4-(diethylamino)phenyl]-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,6S)-6-[4-(diethylamino)phenyl]-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[4-(diethylamino)phenyl]-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,6S)-6-[4-(diethylamino)phenyl]-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[4-(diethylamino)phenyl]-2-keto-4-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO3S/c1-4-24(5-2)18-11-9-16(10-12-18)19-14-17(21-8-7-13-28-21)15-20(25)22(19)23(26)27-6-3/h7-13,15,19,22H,4-6,14H2,1-3H3/t19-,22-/m1/s1