2-[3-(1H-imidazol-2-ylsulfanyl)-2,5-dimethyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1H-imidazol-2-ylsulfanyl)-2,5-dimethyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(1H-imidazol-2-ylsulfanyl)-2,5-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-(1H-imidazol-2-ylthio)-2,5-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(1H-imidazol-2-ylsulfanyl)-2,5-dimethylindol-1-yl]acetic acid Traditional Name: 2-[3-(1H-imidazol-2-ylthio)-2,5-dimethyl-indol-1-yl]acetic acid Formula: C15H15N3O2S MolecularWeight: 301.3635

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=NC=CN3)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=NC=CN3)C)CC(=O)O

InChI

InChI=1S/C15H15N3O2S/c1-9-3-4-12-11(7-9)14(21-15-16-5-6-17-15)10(2)18(12)8-13(19)20/h3-7H,8H2,1-2H3,(H,16,17)(H,19,20)