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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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