ethyl 5-acetyloxy-6-bromanyl-2-[(3-cyano-6-propyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(3-cyano-6-propyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(3-cyano-6-propyl-2-pyridyl)sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[(3-cyano-6-propyl-2-pyridinyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(3-cyano-6-propylpyridin-2-yl)sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[(3-cyano-6-propyl-2-pyridyl)thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H24BrN3O4S MolecularWeight: 530.43406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=CC(=C(C=C3N2C)Br)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=CC(=C(C=C3N2C)Br)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C24H24BrN3O4S/c1-5-7-16-9-8-15(12-26)23(27-16)33-13-20-22(24(30)31-6-2)17-10-21(32-14(3)29)18(25)11-19(17)28(20)4/h8-11H,5-7,13H2,1-4H3