3-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-(methylamino)-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-(methylamino)-3-oxidanylidene-propanoic acid Openeye Name: 3-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-(methylamino)-3-oxo-propanoic acid CAS Name: 3-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-(methylamino)-3-oxopropanoic acid IUPAC Name: 3-[(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-(methylamino)-3-oxopropanoic acid Traditional Name: 3-keto-3-[(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)amino]-2-(methylamino)propionic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C(C(=O)O)NC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C(C(=O)O)NC)C

InChI

InChI=1S/C13H17N3O4S/c1-13(2)4-6-9(7(17)5-13)21-12(15-6)16-10(18)8(14-3)11(19)20/h8,14H,4-5H2,1-3H3,(H,19,20)(H,15,16,18)