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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylamino)-4-oxidanylidene-butanoic acid Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylamino)-4-oxo-butanoic acid CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-(ethylamino)-4-oxobutanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-(ethylamino)-4-oxobutanoic acid Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]-4-(ethylamino)-4-keto-butyric acid Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CC(CSC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CCNC(=O)CC(CSC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C14H16N2O3S2/c1-2-15-12(17)7-9(13(18)19)8-20-14-16-10-5-3-4-6-11(10)21-14/h3-6,9H,2,7-8H2,1H3,(H,15,17)(H,18,19)