O2-ethyl O4-propan-2-yl 5-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[(4-bromanyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[(4-bromo-1,5-dimethylpyrazole-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C18H22BrN3O5S MolecularWeight: 472.35338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C(=C2Br)C)C)C(=O)OC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C(=C2Br)C)C)C(=O)OC(C)C)C

InChI

InChI=1S/C18H22BrN3O5S/c1-7-26-18(25)14-9(4)11(17(24)27-8(2)3)16(28-14)20-15(23)13-12(19)10(5)22(6)21-13/h8H,7H2,1-6H3,(H,20,23)