methyl 2-[[1-[(4-tert-butylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-[(4-tert-butylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-[(4-tert-butylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[1-[(4-tert-butylphenoxy)methyl]pyrazole-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C2=NN(C=C2)COC3=CC=C(C=C3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C22H25N3O4S/c1-14-12-17(21(27)28-5)20(30-14)23-19(26)18-10-11-25(24-18)13-29-16-8-6-15(7-9-16)22(2,3)4/h6-12H,13H2,1-5H3,(H,23,26)