2-[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxo-4-sulfanyl-butanoic acid CAS Name: 2-[5-[diethylamino(oxo)methyl]-1,3-benzothiazol-2-yl]-4-mercapto-4-oxobutanoic acid IUPAC Name: 2-[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]-4-oxo-4-sulfanylbutanoic acid Traditional Name: 2-[5-(diethylcarbamoyl)-1,3-benzothiazol-2-yl]-4-keto-4-mercapto-butyric acid Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)SC(=N2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)SC(=N2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C16H18N2O4S2/c1-3-18(4-2)15(20)9-5-6-12-11(7-9)17-14(24-12)10(16(21)22)8-13(19)23/h5-7,10H,3-4,8H2,1-2H3,(H,19,23)(H,21,22)