1-[4-(4-tert-butylphenyl)-2-(2-phenylethenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[4-(4-tert-butylphenyl)-2-(2-phenylethenyl)-5-piperazin-1-ylcarbonyl-3-thiophen-2-ylcarbonyl-pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[3-(4-tert-butylphenyl)-2-(piperazine-1-carbonyl)-5-styryl-4-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[3-(4-tert-butylphenyl)-2-[oxo(1-piperazinyl)methyl]-4-[oxo(thiophen-2-yl)methyl]-5-(2-phenylethenyl)-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-(4-tert-butylphenyl)-2-(2-phenylethenyl)-5-(piperazine-1-carbonyl)-3-(thiophene-2-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[3-(4-tert-butylphenyl)-2-(piperazine-1-carbonyl)-5-styryl-4-(2-thenoyl)pyrrolidino]-2-methoxy-ethanone Formula: C35H41N3O4S MolecularWeight: 599.78274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)COC)C=CC4=CC=CC=C4)C(=O)C5=CC=CS5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(C(N(C2C(=O)N3CCNCC3)C(=O)COC)C=CC4=CC=CC=C4)C(=O)C5=CC=CS5

InChI

InChI=1S/C35H41N3O4S/c1-35(2,3)26-15-13-25(14-16-26)30-31(33(40)28-11-8-22-43-28)27(17-12-24-9-6-5-7-10-24)38(29(39)23-42-4)32(30)34(41)37-20-18-36-19-21-37/h5-17,22,27,30-32,36H,18-21,23H2,1-4H3