ethyl 4-[3-(methylsulfonylamino)phenyl]-2-oxidanylidene-6-thiophen-2-yl-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[3-(methylsulfonylamino)phenyl]-2-oxidanylidene-6-thiophen-2-yl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[3-(methanesulfonamido)phenyl]-2-oxo-6-(2-thienyl)cyclohex-3-ene-1-carboxylate CAS Name: 4-[3-(methanesulfonamido)phenyl]-2-oxo-6-thiophen-2-yl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(methanesulfonamido)phenyl]-2-oxo-6-thiophen-2-ylcyclohex-3-ene-1-carboxylate Traditional Name: 2-keto-4-[3-(methanesulfonamido)phenyl]-6-(2-thienyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC(=CC=C2)NS(=O)(=O)C)C3=CC=CS3

InChI

InChI=1S/C20H21NO5S2/c1-3-26-20(23)19-16(18-8-5-9-27-18)11-14(12-17(19)22)13-6-4-7-15(10-13)21-28(2,24)25/h4-10,12,16,19,21H,3,11H2,1-2H3