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

Systemtic Name: ethyl 6-bromanyl-2-[(3-cyano-4,6-dimethyl-5-prop-2-enyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 2-[(5-allyl-3-cyano-4,6-dimethyl-2-pyridyl)sulfanylmethyl]-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[(3-cyano-4,6-dimethyl-5-prop-2-enyl-2-pyridinyl)thio]methyl]-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[(3-cyano-4,6-dimethyl-5-prop-2-enylpyridin-2-yl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 2-[[(5-allyl-3-cyano-4,6-dimethyl-2-pyridyl)thio]methyl]-6-bromo-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H24BrN3O3S MolecularWeight: 514.43466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=NC(=C(C(=C3C#N)C)CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=NC(=C(C(=C3C#N)C)CC=C)C

InChI

InChI=1S/C24H24BrN3O3S/c1-6-8-15-13(3)17(11-26)23(27-14(15)4)32-12-20-22(24(30)31-7-2)16-9-21(29)18(25)10-19(16)28(20)5/h6,9-10,29H,1,7-8,12H2,2-5H3