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

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]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-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C21H28ClN3O5S MolecularWeight: 469.98212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC(C)C)N2C(=C(C(=N2)C)Cl)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OC(C)C)N2C(=C(C(=N2)C)Cl)C

InChI

InChI=1S/C21H28ClN3O5S/c1-8-14(25-13(7)16(22)12(6)24-25)18(26)23-19-15(20(27)30-10(3)4)11(5)17(31-19)21(28)29-9-2/h10,14H,8-9H2,1-7H3,(H,23,26)