ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-allyl-5-(2-benzamido-4-methyl-thiazol-5-yl)pyrazole-3-carboxylate CAS Name: 5-(2-benzamido-4-methyl-5-thiazolyl)-1-prop-2-enyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-benzamido-4-methyl-1,3-thiazol-5-yl)-1-prop-2-enylpyrazole-3-carboxylate Traditional Name: 1-allyl-5-(2-benzamido-4-methyl-thiazol-5-yl)pyrazole-3-carboxylic acid ethyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C2=C(N=C(S2)NC(=O)C3=CC=CC=C3)C)CC=C

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C2=C(N=C(S2)NC(=O)C3=CC=CC=C3)C)CC=C

InChI

InChI=1S/C20H20N4O3S/c1-4-11-24-16(12-15(23-24)19(26)27-5-2)17-13(3)21-20(28-17)22-18(25)14-9-7-6-8-10-14/h4,6-10,12H,1,5,11H2,2-3H3,(H,21,22,25)