3-oxidanylidene-3-[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]propanoic acid

Systemtic Name: 3-oxidanylidene-3-[(4,5,7-trimethyl-6-oxidanyl-1,3-benzothiazol-2-yl)amino]propanoic acid Openeye Name: 3-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-3-oxo-propanoic acid CAS Name: 3-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropanoic acid IUPAC Name: 3-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropanoic acid Traditional Name: 3-[(6-hydroxy-4,5,7-trimethyl-1,3-benzothiazol-2-yl)amino]-3-keto-propionic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N=C(S2)NC(=O)CC(=O)O)C)O)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N=C(S2)NC(=O)CC(=O)O)C)O)C

InChI

InChI=1S/C13H14N2O4S/c1-5-6(2)11(19)7(3)12-10(5)15-13(20-12)14-8(16)4-9(17)18/h19H,4H2,1-3H3,(H,17,18)(H,14,15,16)