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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-(ethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-(ethylamino)-4-oxo-butanoic acid CAS Name: 3-(1,3-benzothiazol-2-ylthio)-4-(ethylamino)-4-oxobutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-4-(ethylamino)-4-oxobutanoic acid Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-4-(ethylamino)-4-keto-butyric acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S2/c1-2-14-12(18)10(7-11(16)17)20-13-15-8-5-3-4-6-9(8)19-13/h3-6,10H,2,7H2,1H3,(H,14,18)(H,16,17)