2-azanyl-3-[2-[(2-chlorophenyl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(2-chlorophenyl)carbonylamino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(2-chlorobenzoyl)amino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[[(2-chlorophenyl)-oxomethyl]amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(2-chlorobenzoyl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-[(2-chlorobenzoyl)amino]-2-keto-ethyl]thio]propionic acid Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4S/c13-8-4-2-1-3-7(8)11(17)15-10(16)6-20-5-9(14)12(18)19/h1-4,9H,5-6,14H2,(H,18,19)(H,15,16,17)