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

Systemtic Name: methyl 5-methyl-2-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[1-[(4-isopropylphenoxy)methyl]pyrazole-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[oxo-[1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolyl]methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[1-[(4-isopropylphenoxy)methyl]pyrazole-3-carbonyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-13(2)15-5-7-16(8-6-15)28-12-24-10-9-18(23-24)19(25)22-20-17(21(26)27-4)11-14(3)29-20/h5-11,13H,12H2,1-4H3,(H,22,25)