3-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]propanoic acid

Systemtic Name: 3-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]propanoic acid Openeye Name: 3-[1-(thiazol-4-ylmethyl)indol-3-yl]propanoic acid CAS Name: 3-[1-(4-thiazolylmethyl)-3-indolyl]propanoic acid IUPAC Name: 3-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]propanoic acid Traditional Name: 3-[1-(thiazol-4-ylmethyl)indol-3-yl]propionic acid Formula: C15H14N2O2S MolecularWeight: 286.34886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC3=CSC=N3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC3=CSC=N3)CCC(=O)O

InChI

InChI=1S/C15H14N2O2S/c18-15(19)6-5-11-7-17(8-12-9-20-10-16-12)14-4-2-1-3-13(11)14/h1-4,7,9-10H,5-6,8H2,(H,18,19)