6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-(phenylsulfanylmethyl)indol-5-olate

Systemtic Name: 6-bromanyl-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-(phenylsulfanylmethyl)indol-5-olate Openeye Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-(phenylsulfanylmethyl)indol-5-olate CAS Name: 6-bromo-4-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1-methyl-2-[(phenylthio)methyl]-5-indololate IUPAC Name: 6-bromo-4-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1-methyl-2-(phenylsulfanylmethyl)indol-5-olate Traditional Name: 6-bromo-3-carbethoxy-4-[(dimethylammonio)methyl]-1-methyl-2-[(phenylthio)methyl]indol-5-olate Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C[NH+](C)C)[O-])Br)C)CSC3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3