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

Systemtic Name: methyl 4-azanyl-3-(3-bromanylthiophen-2-yl)sulfanyl-benzoate Openeye Name: methyl 4-amino-3-[(3-bromo-2-thienyl)sulfanyl]benzoate CAS Name: 4-amino-3-[(3-bromo-2-thiophenyl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-(3-bromothiophen-2-yl)sulfanylbenzoate Traditional Name: 4-amino-3-[(3-bromo-2-thienyl)thio]benzoic acid methyl ester Formula: C12H10BrNO2S2 MolecularWeight: 344.2473

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)SC2=C(C=CS2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)SC2=C(C=CS2)Br

InChI

InChI=1S/C12H10BrNO2S2/c1-16-11(15)7-2-3-9(14)10(6-7)18-12-8(13)4-5-17-12/h2-6H,14H2,1H3