methyl 3-[4-aminocarbonyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-5-methyl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-methyl-1-[2-(2-thienyl)ethyl]pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-methyl-1-(2-thiophen-2-ylethyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-methyl-1-(2-thiophen-2-ylethyl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-5-methyl-1-[2-(2-thienyl)ethyl]pyrrol-2-yl]propionic acid methyl ester Formula: C27H30N4O4S MolecularWeight: 506.6165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CCC4=CC=CS4)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(N(C(=C3C(=O)N)C)CCC4=CC=CS4)CCC(=O)OC

InChI

InChI=1S/C27H30N4O4S/c1-17-24(27(34)31(29(17)3)19-9-6-5-7-10-19)25-21(12-13-22(32)35-4)30(18(2)23(25)26(28)33)15-14-20-11-8-16-36-20/h5-11,16H,12-15H2,1-4H3,(H2,28,33)