2-[(4-morpholin-4-yl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid

Systemtic Name: 2-[(4-morpholin-4-yl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid Openeye Name: 2-[(4-morpholino-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid CAS Name: 2-[[[4-(4-morpholinyl)-1H-benzimidazol-2-yl]thio]methyl]butanedioic acid IUPAC Name: 2-[(4-morpholin-4-yl-1H-benzimidazol-2-yl)sulfanylmethyl]butanedioic acid Traditional Name: 2-[[(4-morpholino-1H-benzimidazol-2-yl)thio]methyl]succinic acid Formula: C16H19N3O5S MolecularWeight: 365.40416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC3=C2N=C(N3)SCC(CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC=CC3=C2N=C(N3)SCC(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H19N3O5S/c20-13(21)8-10(15(22)23)9-25-16-17-11-2-1-3-12(14(11)18-16)19-4-6-24-7-5-19/h1-3,10H,4-9H2,(H,17,18)(H,20,21)(H,22,23)