ethyl 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzothiophene-2-carboxylate CAS Name: 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C22H21NO4S2 MolecularWeight: 427.53644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCC(=CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)S(=O)(=O)N3CCC(=CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO4S2/c1-2-27-22(24)20-21(18-10-6-7-11-19(18)28-20)29(25,26)23-14-12-17(13-15-23)16-8-4-3-5-9-16/h3-12H,2,13-15H2,1H3