methyl 2-[1-(2-azanyl-5-bromanyl-phenyl)sulfanylcyclopropyl]-2-chloranyl-ethanoate

Systemtic Name: methyl 2-[1-(2-azanyl-5-bromanyl-phenyl)sulfanylcyclopropyl]-2-chloranyl-ethanoate Openeye Name: methyl 2-[1-(2-amino-5-bromo-phenyl)sulfanylcyclopropyl]-2-chloro-acetate CAS Name: 2-[1-[(2-amino-5-bromophenyl)thio]cyclopropyl]-2-chloroacetic acid methyl ester IUPAC Name: methyl 2-[1-(2-amino-5-bromophenyl)sulfanylcyclopropyl]-2-chloroacetate Traditional Name: 2-[1-[(2-amino-5-bromo-phenyl)thio]cyclopropyl]-2-chloro-acetic acid methyl ester Formula: C12H13BrClNO2S MolecularWeight: 350.65912

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1(CC1)SC2=C(C=CC(=C2)Br)N)Cl

Isomeric SMILES

COC(=O)C(C1(CC1)SC2=C(C=CC(=C2)Br)N)Cl

InChI

InChI=1S/C12H13BrClNO2S/c1-17-11(16)10(14)12(4-5-12)18-9-6-7(13)2-3-8(9)15/h2-3,6,10H,4-5,15H2,1H3