ethyl (1R,6R)-6-(2-chloranyl-3,4-dimethoxy-phenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl (1R,6R)-6-(2-chloranyl-3,4-dimethoxy-phenyl)-2-oxidanylidene-4-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl (1R,6R)-6-(2-chloro-3,4-dimethoxy-phenyl)-2-oxo-4-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6R)-6-(2-chloro-3,4-dimethoxyphenyl)-2-oxo-4-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl (1R,6R)-6-(2-chloro-3,4-dimethoxyphenyl)-2-oxo-4-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6R)-6-(2-chloro-3,4-dimethoxy-phenyl)-2-keto-4-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C21H21ClO5S MolecularWeight: 420.90644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClO5S/c1-4-27-21(24)18-14(10-12(11-15(18)23)17-6-5-9-28-17)13-7-8-16(25-2)20(26-3)19(13)22/h5-9,11,14,18H,4,10H2,1-3H3/t14-,18+/m0/s1