O3-ethyl O5-methyl 6-bromanyl-2-[(3-cyano-6-prop-2-enyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl 6-bromanyl-2-[(3-cyano-6-prop-2-enyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl 2-[(6-allyl-3-cyano-2-pyridyl)sulfanylmethyl]-6-bromo-1-methyl-indole-3,5-dicarboxylate CAS Name: 6-bromo-2-[[(3-cyano-6-prop-2-enyl-2-pyridinyl)thio]methyl]-1-methylindole-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl 6-bromo-2-[(3-cyano-6-prop-2-enylpyridin-2-yl)sulfanylmethyl]-1-methylindole-3,5-dicarboxylate Traditional Name: 2-[[(6-allyl-3-cyano-2-pyridyl)thio]methyl]-6-bromo-1-methyl-indole-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrN3O4S/c1-5-7-15-9-8-14(12-26)22(27-15)33-13-20-21(24(30)32-6-2)17-10-16(23(29)31-4)18(25)11-19(17)28(20)3/h5,8-11H,1,6-7,13H2,2-4H3