[2-(butylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCNC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H20N2O3S/c1-2-3-10-17-14(19)11-21-16(20)9-8-15-18-12-6-4-5-7-13(12)22-15/h4-7H,2-3,8-11H2,1H3,(H,17,19)