2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-thiomorpholin-4-yl-ethanoic acid

Systemtic Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-thiomorpholin-4-yl-ethanoic acid Openeye Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-thiomorpholino-acetic acid CAS Name: 2-[1-(carboxymethyl)-5-methoxy-3-indolyl]-2-thiomorpholin-4-ylacetic acid IUPAC Name: 2-[1-(carboxymethyl)-5-methoxyindol-3-yl]-2-thiomorpholin-4-ylacetic acid Traditional Name: 2-[1-(carboxymethyl)-5-methoxy-indol-3-yl]-2-thiomorpholino-acetic acid Formula: C17H20N2O5S MolecularWeight: 364.4161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCSCC3)CC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCSCC3)CC(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-24-11-2-3-14-12(8-11)13(9-19(14)10-15(20)21)16(17(22)23)18-4-6-25-7-5-18/h2-3,8-9,16H,4-7,10H2,1H3,(H,20,21)(H,22,23)