dimethyl 5-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-chloranylpyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(4-chloro-1-pyrazolyl)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(4-chloropyrazol-1-yl)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H18ClN3O5S MolecularWeight: 399.84922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O5S/c1-5-10(20-7-9(17)6-18-20)13(21)19-14-11(15(22)24-3)8(2)12(26-14)16(23)25-4/h6-7,10H,5H2,1-4H3,(H,19,21)