ethyl 3-(3-methyl-2-methylsulfanyl-imidazol-4-yl)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(3-methyl-2-methylsulfanyl-imidazol-4-yl)-1H-indole-2-carboxylate Openeye Name: ethyl 3-(3-methyl-2-methylsulfanyl-imidazol-4-yl)-1H-indole-2-carboxylate CAS Name: 3-[3-methyl-2-(methylthio)-4-imidazolyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3-methyl-2-methylsulfanylimidazol-4-yl)-1H-indole-2-carboxylate Traditional Name: 3-[3-methyl-2-(methylthio)imidazol-4-yl]-1H-indole-2-carboxylic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)C3=CN=C(N3C)SC

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)C3=CN=C(N3C)SC

InChI

InChI=1S/C16H17N3O2S/c1-4-21-15(20)14-13(10-7-5-6-8-11(10)18-14)12-9-17-16(22-3)19(12)2/h5-9,18H,4H2,1-3H3