ethyl 4-(2-azanylethylsulfanylmethyl)-6-bromanyl-2-[(4-fluorophenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 4-(2-azanylethylsulfanylmethyl)-6-bromanyl-2-[(4-fluorophenyl)sulfinylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 4-(2-aminoethylsulfanylmethyl)-6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 4-[(2-aminoethylthio)methyl]-6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-aminoethylsulfanylmethyl)-6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 4-[(2-aminoethylthio)methyl]-6-bromo-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H24BrFN2O4S2 MolecularWeight: 543.469363

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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=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrFN2O4S2/c1-3-30-22(28)20-18(12-32(29)14-6-4-13(24)5-7-14)26(2)17-10-16(23)21(27)15(19(17)20)11-31-9-8-25/h4-7,10,27H,3,8-9,11-12,25H2,1-2H3