5-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxo-pentanoic acid CAS Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid IUPAC Name: 5-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[(4-methyl-1,3-benzothiazol-2-yl)amino]valeric acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-8-4-2-5-9-12(8)15-13(19-9)14-10(16)6-3-7-11(17)18/h2,4-5H,3,6-7H2,1H3,(H,17,18)(H,14,15,16)