ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(pyridin-2-ylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-1-methyl-2-(pyridin-2-ylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-1-methyl-2-(2-pyridylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-1-methyl-2-[(2-pyridinylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-1-methyl-2-(pyridin-2-ylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-1-methyl-2-[(2-pyridylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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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)CSC3=CC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN2O4S/c1-4-26-20(25)19-13-9-17(27-12(2)24)14(21)10-15(13)23(3)16(19)11-28-18-7-5-6-8-22-18/h5-10H,4,11H2,1-3H3