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

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[(4-bromanyl-2-ethyl-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[(4-bromo-2-ethyl-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(4-bromo-2-ethyl-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-2-ethylpyrazole-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(4-bromo-2-ethyl-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:

CCN1C(=C(C=N1)Br)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC(C)C

Isomeric SMILES

CCN1C(=C(C=N1)Br)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC(C)C

InChI

InChI=1S/C18H22BrN3O5S/c1-6-22-13(11(19)8-20-22)15(23)21-16-12(17(24)27-9(3)4)10(5)14(28-16)18(25)26-7-2/h8-9H,6-7H2,1-5H3,(H,21,23)