3-[2-ethoxycarbonyl-5-(sulfomethyl)-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-[2-ethoxycarbonyl-5-(sulfomethyl)-1H-indol-3-yl]propanoic acid Openeye Name: 3-[2-ethoxycarbonyl-5-(sulfomethyl)-1H-indol-3-yl]propanoic acid CAS Name: 3-[2-ethoxycarbonyl-5-(sulfomethyl)-1H-indol-3-yl]propanoic acid IUPAC Name: 3-[2-ethoxycarbonyl-5-(sulfomethyl)-1H-indol-3-yl]propanoic acid Traditional Name: 3-[2-carbethoxy-5-(sulfomethyl)-1H-indol-3-yl]propionic acid Formula: C15H17NO7S MolecularWeight: 355.36298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CS(=O)(=O)O)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CS(=O)(=O)O)CCC(=O)O

InChI

InChI=1S/C15H17NO7S/c1-2-23-15(19)14-10(4-6-13(17)18)11-7-9(8-24(20,21)22)3-5-12(11)16-14/h3,5,7,16H,2,4,6,8H2,1H3,(H,17,18)(H,20,21,22)