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

Systemtic Name: ethyl 6-bromanyl-2-[(3-cyano-6-propyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(3-cyano-6-propyl-2-pyridyl)sulfanylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[(3-cyano-6-propyl-2-pyridinyl)thio]methyl]-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(3-cyano-6-propylpyridin-2-yl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[(3-cyano-6-propyl-2-pyridyl)thio]methyl]-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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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)O)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O3S/c1-4-6-14-8-7-13(11-24)21(25-14)30-12-18-20(22(28)29-5-2)15-9-19(27)16(23)10-17(15)26(18)3/h7-10,27H,4-6,12H2,1-3H3