(3-acetamidophenyl) 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (3-acetamidophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (3-acetamidophenyl) 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (3-acetamidophenyl) ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16N2O3S/c1-12(21)19-13-5-4-6-14(11-13)23-18(22)10-9-17-20-15-7-2-3-8-16(15)24-17/h2-8,11H,9-10H2,1H3,(H,19,21)