[2-(butylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C14H16N2O3S/c1-2-3-6-15-13(17)8-19-14(18)10-4-5-11-12(7-10)20-9-16-11/h4-5,7,9H,2-3,6,8H2,1H3,(H,15,17)