ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(thiophen-2-ylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-4-(dimethylaminomethyl)-1-methyl-5-oxidanyl-2-(thiophen-2-ylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(2-thienylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(thiophen-2-ylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-(thiophen-2-ylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-4-(dimethylaminomethyl)-5-hydroxy-1-methyl-2-[(2-thienylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C20H23BrN2O3S2 MolecularWeight: 483.44222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CS3

InChI

InChI=1S/C20H23BrN2O3S2/c1-5-26-20(25)18-15(11-28-16-7-6-8-27-16)23(4)14-9-13(21)19(24)12(17(14)18)10-22(2)3/h6-9,24H,5,10-11H2,1-4H3