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

Systemtic Name: ethyl 4-(2-azanylethylsulfanylmethyl)-6-bromanyl-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 4-(2-aminoethylsulfanylmethyl)-6-bromo-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-indole-3-carboxylate CAS Name: 4-[(2-aminoethylthio)methyl]-6-bromo-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-aminoethylsulfanylmethyl)-6-bromo-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxyindole-3-carboxylate Traditional Name: 4-[(2-aminoethylthio)methyl]-6-bromo-1-cyclopropyl-2-[(4-fluorophenyl)sulfinylmethyl]-5-hydroxy-indole-3-carboxylic acid ethyl ester Formula: C24H26BrFN2O4S2 MolecularWeight: 569.506643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CSCCN)O)Br)C3CC3)CS(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CSCCN)O)Br)C3CC3)CS(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26BrFN2O4S2/c1-2-32-24(30)22-20(13-34(31)16-7-3-14(26)4-8-16)28(15-5-6-15)19-11-18(25)23(29)17(21(19)22)12-33-10-9-27/h3-4,7-8,11,15,29H,2,5-6,9-10,12-13,27H2,1H3