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

Systemtic Name: ethyl 5-bromanyl-3-methyl-6-oxidanyl-2-(pyridin-2-ylsulfanylmethyl)indole-1-carboxylate Openeye Name: ethyl 5-bromo-6-hydroxy-3-methyl-2-(2-pyridylsulfanylmethyl)indole-1-carboxylate CAS Name: 5-bromo-6-hydroxy-3-methyl-2-[(2-pyridinylthio)methyl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-6-hydroxy-3-methyl-2-(pyridin-2-ylsulfanylmethyl)indole-1-carboxylate Traditional Name: 5-bromo-6-hydroxy-3-methyl-2-[(2-pyridylthio)methyl]indole-1-carboxylic acid ethyl ester Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=N3)C)Br)O

Isomeric SMILES

CCOC(=O)N1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=N3)C)Br)O

InChI

InChI=1S/C18H17BrN2O3S/c1-3-24-18(23)21-14-9-16(22)13(19)8-12(14)11(2)15(21)10-25-17-6-4-5-7-20-17/h4-9,22H,3,10H2,1-2H3