1,3-benzothiazol-2-ylmethyl 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O3S/c1-12(23)21-16(13-6-8-14(20)9-7-13)10-19(24)25-11-18-22-15-4-2-3-5-17(15)26-18/h2-9,16H,10-11H2,1H3,(H,21,23)