[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H18N2O3S/c1-3-10-17-16(20)11(2)21-15(19)9-8-14-18-12-6-4-5-7-13(12)22-14/h3-7,11H,1,8-10H2,2H3,(H,17,20)