2-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid

Systemtic Name: 2-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Openeye Name: 2-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid CAS Name: 2-[(7-ethoxy-1,3-benzothiazol-2-yl)thio]butanedioic acid IUPAC Name: 2-[(7-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]butanedioic acid Traditional Name: 2-[(7-ethoxy-1,3-benzothiazol-2-yl)thio]succinic acid Formula: C13H13NO5S2 MolecularWeight: 327.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC2=C1SC(=N2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=CC2=C1SC(=N2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C13H13NO5S2/c1-2-19-8-5-3-4-7-11(8)21-13(14-7)20-9(12(17)18)6-10(15)16/h3-5,9H,2,6H2,1H3,(H,15,16)(H,17,18)