3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-4-chloro-benzoic acid Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CCSCC(=O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CCSCC(=O)N)Cl

InChI

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