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

Systemtic Name: (phenylmethyl) 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]ethanoate Openeye Name: benzyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]acetate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]acetate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoylamino]acetic acid benzyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H18N2O3S/c22-17(10-11-18-21-15-8-4-5-9-16(15)25-18)20-12-19(23)24-13-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,20,22)