ethyl 6-bromanyl-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylmethyl]-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylmethyl]-4-(dimethylaminomethyl)-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[(3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H27BrN4O3S MolecularWeight: 531.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=C(C(=CC(=N3)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=C(C(=CC(=N3)C)C)C#N

InChI

InChI=1S/C24H27BrN4O3S/c1-7-32-24(31)21-19(12-33-23-15(10-26)13(2)8-14(3)27-23)29(6)18-9-17(25)22(30)16(20(18)21)11-28(4)5/h8-9,30H,7,11-12H2,1-6H3