(4-acetamidophenyl) 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate

Systemtic Name: (4-acetamidophenyl) 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: (4-acetamidophenyl) 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propionic acid (4-acetamidophenyl) ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C(C)(CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C(C)(CC2=NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-17(28)26-19-12-14-20(15-13-19)30-24(29)25(2,18-8-4-3-5-9-18)16-23-27-21-10-6-7-11-22(21)31-23/h3-15H,16H2,1-2H3,(H,26,28)