[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C20H21N3O3S/c1-4-14-6-5-7-15-16(9-21-19(14)15)17(24)10-26-18(25)11-27-20-22-12(2)8-13(3)23-20/h5-9,21H,4,10-11H2,1-3H3