methyl 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoate

Systemtic Name: methyl 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoate Openeye Name: methyl 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoate CAS Name: 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 3-(3-phenylsulfanyl-1H-indol-2-yl)propanoate Traditional Name: 3-[3-(phenylthio)-1H-indol-2-yl]propionic acid methyl ester Formula: C18H17NO2S MolecularWeight: 311.39808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCC1=C(C2=CC=CC=C2N1)SC3=CC=CC=C3

InChI

InChI=1S/C18H17NO2S/c1-21-17(20)12-11-16-18(22-13-7-3-2-4-8-13)14-9-5-6-10-15(14)19-16/h2-10,19H,11-12H2,1H3