ethyl 6-bromanyl-2-(furan-2-ylmethylsulfinylmethyl)-1-methyl-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-(furan-2-ylmethylsulfinylmethyl)-1-methyl-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-(2-furylmethylsulfinylmethyl)-5-hydroxy-1-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-2-(2-furanylmethylsulfinylmethyl)-5-hydroxy-1-methyl-4-(1-pyrrolidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-(furan-2-ylmethylsulfinylmethyl)-5-hydroxy-1-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-2-(2-furfurylsulfinylmethyl)-5-hydroxy-1-methyl-4-(pyrrolidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C23H27BrN2O5S MolecularWeight: 523.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C)CS(=O)CC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C)CS(=O)CC4=CC=CO4

InChI

InChI=1S/C23H27BrN2O5S/c1-3-30-23(28)21-19(14-32(29)13-15-7-6-10-31-15)25(2)18-11-17(24)22(27)16(20(18)21)12-26-8-4-5-9-26/h6-7,10-11,27H,3-5,8-9,12-14H2,1-2H3