ethyl 5-acetamido-4-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-acetamido-4-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-acetamido-4-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-acetamido-4-(1,3-benzothiazol-2-yl)-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetamido-4-(1,3-benzothiazol-2-yl)-1-phenylpyrazole-3-carboxylate Traditional Name: 5-acetamido-4-(1,3-benzothiazol-2-yl)-1-phenyl-pyrazole-3-carboxylic acid ethyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C2=NC3=CC=CC=C3S2)NC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C2=NC3=CC=CC=C3S2)NC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-3-28-21(27)18-17(20-23-15-11-7-8-12-16(15)29-20)19(22-13(2)26)25(24-18)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,22,26)