methyl 4-[[2-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate

Systemtic Name: methyl 4-[[2-[(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonylamino]phenyl]amino]-2,5-dihydrothiophene-3-carboxylate Openeye Name: methyl 4-[2-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]anilino]-2,5-dihydrothiophene-3-carboxylate CAS Name: 4-[2-[[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[2-[(5-tert-butyl-2-methylpyrazole-3-carbonyl)amino]anilino]-2,5-dihydrothiophene-3-carboxylate Traditional Name: 4-[2-[(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)amino]anilino]-2,5-dihydrothiophene-3-carboxylic acid methyl ester Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=CC=C2NC3=C(CSC3)C(=O)OC)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC=CC=C2NC3=C(CSC3)C(=O)OC)C

InChI

InChI=1S/C21H26N4O3S/c1-21(2,3)18-10-17(25(4)24-18)19(26)23-15-9-7-6-8-14(15)22-16-12-29-11-13(16)20(27)28-5/h6-10,22H,11-12H2,1-5H3,(H,23,26)