[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)CCNC(=O)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)CCNC(=O)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C26H25N3O5S/c1-33-20-11-9-19(10-12-20)22-16-21(18-6-3-2-4-7-18)28-29(22)24(30)17-34-25(31)13-14-27-26(32)23-8-5-15-35-23/h2-12,15,22H,13-14,16-17H2,1H3,(H,27,32)