4-(1,3-benzothiazol-2-ylamino)-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylamino)-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(1,3-benzothiazol-2-ylamino)-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-(1,3-benzothiazol-2-ylamino)-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylamino)-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-2,2-diethyl-4-keto-butyric acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C15H18N2O3S/c1-3-15(4-2,13(19)20)9-12(18)17-14-16-10-7-5-6-8-11(10)21-14/h5-8H,3-4,9H2,1-2H3,(H,19,20)(H,16,17,18)