3-[[aminocarbonyl(carboxy)amino]-azanyl-sulfanyl-methyl]-2-chloranyl-benzoic acid

Systemtic Name: 3-[[aminocarbonyl(carboxy)amino]-azanyl-sulfanyl-methyl]-2-chloranyl-benzoic acid Openeye Name: 3-[amino-[carbamoyl(carboxy)amino]-sulfanyl-methyl]-2-chloro-benzoic acid CAS Name: 3-[amino-[carbamoyl(carboxy)amino]-mercaptomethyl]-2-chlorobenzoic acid IUPAC Name: 3-[amino-[carbamoyl(carboxy)amino]-sulfanylmethyl]-2-chlorobenzoic acid Traditional Name: 3-[amino-[carbamoyl(carboxy)amino]-mercapto-methyl]-2-chloro-benzoic acid Formula: C10H10ClN3O5S MolecularWeight: 319.7215

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(N)(N(C(=O)N)C(=O)O)S)Cl)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(N)(N(C(=O)N)C(=O)O)S)Cl)C(=O)O

InChI

InChI=1S/C10H10ClN3O5S/c11-6-4(7(15)16)2-1-3-5(6)10(13,20)14(8(12)17)9(18)19/h1-3,20H,13H2,(H2,12,17)(H,15,16)(H,18,19)