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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=CC=C2OC)C3=CSC=C3

Isomeric SMILES

CCOC(=O)[C@H]1[C@H](CC(=CC1=O)C2=CC=CC=C2OC)C3=CSC=C3

InChI

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