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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(3-cyano-4,6-dimethyl-pyridin-2-yl)-sulfanyl-methyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(3-cyano-4,6-dimethyl-2-pyridyl)-sulfanyl-methyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)-mercaptomethyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(3-cyano-4,6-dimethylpyridin-2-yl)-sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(3-cyano-4,6-dimethyl-2-pyridyl)-mercapto-methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H22BrN3O4S MolecularWeight: 516.40748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C(C3=C(C(=CC(=N3)C)C)C#N)S

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C(C3=C(C(=CC(=N3)C)C)C#N)S

InChI

InChI=1S/C23H22BrN3O4S/c1-6-30-23(29)19-14-8-18(31-13(4)28)16(24)9-17(14)27(5)21(19)22(32)20-15(10-25)11(2)7-12(3)26-20/h7-9,22,32H,6H2,1-5H3