2-[(6-azanyl-1,3-benzoxazol-2-yl)sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[(6-azanyl-1,3-benzoxazol-2-yl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[(6-amino-1,3-benzoxazol-2-yl)thio]methyl]butanedioic acid IUPAC Name: 2-[(6-amino-1,3-benzoxazol-2-yl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(6-amino-1,3-benzoxazol-2-yl)thio]methyl]succinic acid Formula: C12H12N2O5S MolecularWeight: 296.29908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)OC(=N2)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)OC(=N2)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H12N2O5S/c13-7-1-2-8-9(4-7)19-12(14-8)20-5-6(11(17)18)3-10(15)16/h1-2,4,6H,3,5,13H2,(H,15,16)(H,17,18)