2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid

Systemtic Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl]amino]-3-methyl-butyric acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-8(2)12(13(19)20)15-7-11(18)17-14-16-9-5-3-4-6-10(9)21-14/h3-6,8,12,15H,7H2,1-2H3,(H,19,20)(H,16,17,18)