1,3-benzothiazol-2-ylmethyl 3-acetamido-3-phenyl-propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-phenyl-propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-phenyl-propanoate CAS Name: 3-acetamido-3-phenylpropanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-phenylpropanoate Traditional Name: 3-acetamido-3-phenyl-propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CC(=O)OCC1=NC2=CC=CC=C2S1)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O3S/c1-13(22)20-16(14-7-3-2-4-8-14)11-19(23)24-12-18-21-15-9-5-6-10-17(15)25-18/h2-10,16H,11-12H2,1H3,(H,20,22)