[2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate

Systemtic Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 3-methyl-2-(2-naphthalen-1-ylethanoylamino)butanoate Openeye Name: [2-[3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butanoate CAS Name: 3-methyl-2-[[2-(1-naphthalenyl)-1-oxoethyl]amino]butanoic acid [2-[3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-methyl-2-[(2-naphthalen-1-ylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[[2-(1-naphthyl)acetyl]amino]butyric acid [2-[5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl] ester Formula: C30H29N3O5S MolecularWeight: 543.63336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CO3)NC(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC=CO3)NC(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H29N3O5S/c1-19(2)29(31-27(34)16-21-10-5-9-20-8-3-4-11-22(20)21)30(36)38-18-28(35)33-24(25-12-6-14-37-25)17-23(32-33)26-13-7-15-39-26/h3-15,19,24,29H,16-18H2,1-2H3,(H,31,34)