2-(1,3-benzothiazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(methoxymethyl)butanedioic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(methoxymethyl)butanedioic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-(methoxymethyl)succinic acid Formula: C13H13NO5S2 MolecularWeight: 327.37602

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Descriptors Computed from Structure

Canonical SMILES:

COCC(C(C(=O)O)SC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

COCC(C(C(=O)O)SC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C13H13NO5S2/c1-19-6-7(11(15)16)10(12(17)18)21-13-14-8-4-2-3-5-9(8)20-13/h2-5,7,10H,6H2,1H3,(H,15,16)(H,17,18)