[3-(5-acetamido-3-ethanoyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl] benzoate

Systemtic Name: [3-(5-acetamido-3-ethanoyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl] benzoate Openeye Name: [3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl] benzoate CAS Name: benzoic acid [3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl] benzoate Traditional Name: benzoic acid [3-(5-acetamido-3-acetyl-2-methyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(S1)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC(=O)NC1=NN(C(S1)(C)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C20H19N3O4S/c1-13(24)21-19-22-23(14(2)25)20(3,28-19)16-10-7-11-17(12-16)27-18(26)15-8-5-4-6-9-15/h4-12H,1-3H3,(H,21,22,24)