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

Systemtic Name: 2-[(4-morpholin-4-yl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(4-morpholino-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[[4-(4-morpholinyl)-1,3-benzothiazol-2-yl]thio]butanedioic acid IUPAC Name: 2-[(4-morpholin-4-yl-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(4-morpholino-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C15H16N2O5S2 MolecularWeight: 368.42794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O5S2/c18-12(19)8-11(14(20)21)24-15-16-13-9(2-1-3-10(13)23-15)17-4-6-22-7-5-17/h1-3,11H,4-8H2,(H,18,19)(H,20,21)