ethyl 4-(2-azanylethylsulfanylmethyl)-6-bromanyl-1-methyl-5-oxidanyl-2-(pyridin-2-ylsulfinylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 4-(2-azanylethylsulfanylmethyl)-6-bromanyl-1-methyl-5-oxidanyl-2-(pyridin-2-ylsulfinylmethyl)indole-3-carboxylate Openeye Name: ethyl 4-(2-aminoethylsulfanylmethyl)-6-bromo-5-hydroxy-1-methyl-2-(2-pyridylsulfinylmethyl)indole-3-carboxylate CAS Name: 4-[(2-aminoethylthio)methyl]-6-bromo-5-hydroxy-1-methyl-2-(2-pyridinylsulfinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-aminoethylsulfanylmethyl)-6-bromo-5-hydroxy-1-methyl-2-(pyridin-2-ylsulfinylmethyl)indole-3-carboxylate Traditional Name: 4-[(2-aminoethylthio)methyl]-6-bromo-5-hydroxy-1-methyl-2-(2-pyridylsulfinylmethyl)indole-3-carboxylic acid ethyl ester Formula: C21H24BrN3O4S2 MolecularWeight: 526.46696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CSCCN)O)Br)C)CS(=O)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CSCCN)O)Br)C)CS(=O)C3=CC=CC=N3

InChI

InChI=1S/C21H24BrN3O4S2/c1-3-29-21(27)19-16(12-31(28)17-6-4-5-8-24-17)25(2)15-10-14(22)20(26)13(18(15)19)11-30-9-7-23/h4-6,8,10,26H,3,7,9,11-12,23H2,1-2H3