methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]ethanoate

Systemtic Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]ethanoate Openeye Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]acetate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]acetate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]acetic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c1-18-13(17)8-14-11(16)6-7-12-15-9-4-2-3-5-10(9)19-12/h2-5H,6-8H2,1H3,(H,14,16)