2-(1,3-benzothiazol-2-ylsulfanyl)-4-(diethylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-(diethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-(diethylamino)-4-oxo-butanoic acid CAS Name: 2-(1,3-benzothiazol-2-ylthio)-4-(diethylamino)-4-oxobutanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-4-(diethylamino)-4-oxobutanoic acid Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-4-(diethylamino)-4-keto-butyric acid Formula: C15H18N2O3S2 MolecularWeight: 338.44502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S2/c1-3-17(4-2)13(18)9-12(14(19)20)22-15-16-10-7-5-6-8-11(10)21-15/h5-8,12H,3-4,9H2,1-2H3,(H,19,20)