methyl 2-[(5-bromanyl-3-nitro-1H-indol-2-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-bromanyl-3-nitro-1H-indol-2-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-bromo-3-nitro-1H-indol-2-yl)sulfanyl]acetate CAS Name: 2-[(5-bromo-3-nitro-1H-indol-2-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-3-nitro-1H-indol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5-bromo-3-nitro-1H-indol-2-yl)thio]acetic acid methyl ester Formula: C11H9BrN2O4S MolecularWeight: 345.16916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C2=C(N1)C=CC(=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSC1=C(C2=C(N1)C=CC(=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C11H9BrN2O4S/c1-18-9(15)5-19-11-10(14(16)17)7-4-6(12)2-3-8(7)13-11/h2-4,13H,5H2,1H3