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

Systemtic Name: 4-(methylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(methylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]-4-oxo-butanoic acid CAS Name: 4-(methylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)thio]-4-oxobutanoic acid IUPAC Name: 4-(methylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-(methylamino)-2-[(4-methyl-1,3-benzothiazol-2-yl)thio]butyric acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)SC(CC(=O)NC)C(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)SC(CC(=O)NC)C(=O)O

InChI

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