2-[ethanoyl(propyl)amino]sulfanyl-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-[ethanoyl(propyl)amino]sulfanyl-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-[acetyl(propyl)amino]sulfanyl-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-[[acetyl(propyl)amino]thio]-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-[acetyl(propyl)amino]sulfanyl-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-[[acetyl(propyl)amino]thio]-1,3-benzothiazole-5-carboxylic acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)C)SC1=NC2=C(S1)C=CC(=C2)C(=O)O

Isomeric SMILES

CCCN(C(=O)C)SC1=NC2=C(S1)C=CC(=C2)C(=O)O

InChI

InChI=1S/C13H14N2O3S2/c1-3-6-15(8(2)16)20-13-14-10-7-9(12(17)18)4-5-11(10)19-13/h4-5,7H,3,6H2,1-2H3,(H,17,18)