methyl 3-(3-bromanylthiophen-2-yl)sulfanyl-4-nitro-benzoate

Systemtic Name: methyl 3-(3-bromanylthiophen-2-yl)sulfanyl-4-nitro-benzoate Openeye Name: methyl 3-[(3-bromo-2-thienyl)sulfanyl]-4-nitro-benzoate CAS Name: 3-[(3-bromo-2-thiophenyl)thio]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(3-bromothiophen-2-yl)sulfanyl-4-nitrobenzoate Traditional Name: 3-[(3-bromo-2-thienyl)thio]-4-nitro-benzoic acid methyl ester Formula: C12H8BrNO4S2 MolecularWeight: 374.23022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=C(C=CS2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])SC2=C(C=CS2)Br

InChI

InChI=1S/C12H8BrNO4S2/c1-18-11(15)7-2-3-9(14(16)17)10(6-7)20-12-8(13)4-5-19-12/h2-6H,1H3