(3-morpholin-4-ylsulfonylphenyl)methyl 5-methyl-4-propyl-thiophene-2-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C20H25NO5S2 MolecularWeight: 423.5462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C20H25NO5S2/c1-3-5-17-13-19(27-15(17)2)20(22)26-14-16-6-4-7-18(12-16)28(23,24)21-8-10-25-11-9-21/h4,6-7,12-13H,3,5,8-11,14H2,1-2H3