ethyl 5-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H23N3O3S/c1-5-27-21(26)19-13(2)11-17(28-19)22-20(25)18-14(3)23-24(15(18)4)12-16-9-7-6-8-10-16/h6-11H,5,12H2,1-4H3,(H,22,25)