[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)CCNC(=O)CCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C23H25N3O4S/c1-16-14-17(2)26(25-16)19-7-5-18(6-8-19)15-30-23(29)11-12-24-22(28)10-9-20(27)21-4-3-13-31-21/h3-8,13-14H,9-12,15H2,1-2H3,(H,24,28)