2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3,5-bis(chloranyl)benzoic acid

Systemtic Name: 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3,5-bis(chloranyl)benzoic acid Openeye Name: 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-3,5-dichloro-benzoic acid CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-3,5-dichlorobenzoic acid IUPAC Name: 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3,5-dichlorobenzoic acid Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-3,5-dichloro-benzoic acid Formula: C12H12Cl2N2O4S MolecularWeight: 351.20568

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)NC(=O)CCSCC(=O)N)C(=O)O)Cl

Isomeric SMILES

C1=C(C=C(C(=C1Cl)NC(=O)CCSCC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C12H12Cl2N2O4S/c13-6-3-7(12(19)20)11(8(14)4-6)16-10(18)1-2-21-5-9(15)17/h3-4H,1-2,5H2,(H2,15,17)(H,16,18)(H,19,20)