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

Systemtic Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(4-methyl-1,3-benzothiazol-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(4-methyl-1,3-benzothiazol-2-yl)amino]butyric acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c1-7-3-2-4-8-11(7)14-12(18-8)13-9(15)5-6-10(16)17/h2-4H,5-6H2,1H3,(H,16,17)(H,13,14,15)