2-(2-azanylpropanoylamino)-2-[2,4-bis(chloranylsulfanyl)phenyl]ethanoic acid

Systemtic Name: 2-(2-azanylpropanoylamino)-2-[2,4-bis(chloranylsulfanyl)phenyl]ethanoic acid Openeye Name: 2-(2-aminopropanoylamino)-2-[2,4-bis(chlorosulfanyl)phenyl]acetic acid CAS Name: 2-[(2-amino-1-oxopropyl)amino]-2-[2,4-bis(chlorothio)phenyl]acetic acid IUPAC Name: 2-(2-aminopropanoylamino)-2-[2,4-bis(chlorosulfanyl)phenyl]acetic acid Traditional Name: 2-(alanylamino)-2-[2,4-bis(chlorothio)phenyl]acetic acid Formula: C11H12Cl2N2O3S2 MolecularWeight: 355.26058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C1=C(C=C(C=C1)SCl)SCl)C(=O)O)N

Isomeric SMILES

CC(C(=O)NC(C1=C(C=C(C=C1)SCl)SCl)C(=O)O)N

InChI

InChI=1S/C11H12Cl2N2O3S2/c1-5(14)10(16)15-9(11(17)18)7-3-2-6(19-12)4-8(7)20-13/h2-5,9H,14H2,1H3,(H,15,16)(H,17,18)