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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-13(23)21-17(14-7-9-15(25-2)10-8-14)11-20(24)26-12-19-22-16-5-3-4-6-18(16)27-19/h3-10,17H,11-12H2,1-2H3,(H,21,23)