dimethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propanedioate

Systemtic Name: dimethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propanedioate Openeye Name: dimethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propanedioate CAS Name: 2-[[2-(ethylthio)-1H-indol-3-yl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-ethylsulfanyl-1H-indol-3-yl)methyl]propanedioate Traditional Name: 2-[[2-(ethylthio)-1H-indol-3-yl]methyl]malonic acid dimethyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C2=CC=CC=C2N1)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCSC1=C(C2=CC=CC=C2N1)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H19NO4S/c1-4-22-14-11(10-7-5-6-8-13(10)17-14)9-12(15(18)20-2)16(19)21-3/h5-8,12,17H,4,9H2,1-3H3