2-(4-morpholin-4-yl-1,3-benzothiazol-2-yl)butanedioic acid

Systemtic Name: 2-(4-morpholin-4-yl-1,3-benzothiazol-2-yl)butanedioic acid Openeye Name: 2-(4-morpholino-1,3-benzothiazol-2-yl)butanedioic acid CAS Name: 2-[4-(4-morpholinyl)-1,3-benzothiazol-2-yl]butanedioic acid IUPAC Name: 2-(4-morpholin-4-yl-1,3-benzothiazol-2-yl)butanedioic acid Traditional Name: 2-(4-morpholino-1,3-benzothiazol-2-yl)succinic acid Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C(=CC=C2)SC(=N3)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1COCCN1C2=C3C(=CC=C2)SC(=N3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C15H16N2O5S/c18-12(19)8-9(15(20)21)14-16-13-10(2-1-3-11(13)23-14)17-4-6-22-7-5-17/h1-3,9H,4-8H2,(H,18,19)(H,20,21)