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

Systemtic Name: ethyl 5-bromanyl-6-(dimethylaminomethyl)-4-methyl-1-oxidanyl-2-(thiophen-3-ylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 5-bromo-6-(dimethylaminomethyl)-1-hydroxy-4-methyl-2-(3-thienylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-bromo-6-(dimethylaminomethyl)-1-hydroxy-4-methyl-2-[(3-thiophenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-6-(dimethylaminomethyl)-1-hydroxy-4-methyl-2-(thiophen-3-ylsulfanylmethyl)indole-3-carboxylate Traditional Name: 5-bromo-6-(dimethylaminomethyl)-1-hydroxy-4-methyl-2-[(3-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=C1C(=C(C(=C2)CN(C)C)Br)C)O)CSC3=CSC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2)CN(C)C)Br)C)O)CSC3=CSC=C3

InChI

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