4-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid

Systemtic Name: 4-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Openeye Name: 4-(2,3-dihydro-1H-cyclopenta[b]benzofuran-6-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid CAS Name: 4-(2,3-dihydro-1H-cyclopenta[b]benzofuran-6-ylsulfonyl)-2,2-dimethyl-3-thiomorpholinecarboxylic acid IUPAC Name: 4-(2,3-dihydro-1H-cyclopenta[b][1]benzofuran-6-ylsulfonyl)-2,2-dimethylthiomorpholine-3-carboxylic acid Traditional Name: 4-(2,3-dihydro-1H-cyclopenta[b]benzofuran-6-ylsulfonyl)-2,2-dimethyl-thiomorpholine-3-carboxylic acid Formula: C18H21NO5S2 MolecularWeight: 395.49304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(O3)CCC4)C(=O)O)C

Isomeric SMILES

CC1(C(N(CCS1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(O3)CCC4)C(=O)O)C

InChI

InChI=1S/C18H21NO5S2/c1-18(2)16(17(20)21)19(8-9-25-18)26(22,23)11-6-7-13-12-4-3-5-14(12)24-15(13)10-11/h6-7,10,16H,3-5,8-9H2,1-2H3,(H,20,21)