2-azanyl-3-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(3,4-dichlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-(3,4-dichloroanilino)-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-(3,4-dichloroanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-(3,4-dichloroanilino)-2-keto-ethyl]thio]propionic acid Formula: C11H12Cl2N2O3S MolecularWeight: 323.19558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSCC(C(=O)O)N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSCC(C(=O)O)N)Cl)Cl

InChI

InChI=1S/C11H12Cl2N2O3S/c12-7-2-1-6(3-8(7)13)15-10(16)5-19-4-9(14)11(17)18/h1-3,9H,4-5,14H2,(H,15,16)(H,17,18)