4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-3-(3-methoxyphenyl)-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-3-(3-methoxyphenyl)-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-5-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-3-(3-methoxyphenyl)-5-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-5-(3-methyl-2-thienyl)proline Formula: C27H26ClNO5S2 MolecularWeight: 544.08204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCC3)C(=O)O)C4=CC(=CC=C4)OC)C(=O)C5=CC=C(S5)Cl

Isomeric SMILES

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCC3)C(=O)O)C4=CC(=CC=C4)OC)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C27H26ClNO5S2/c1-14-11-12-35-25(14)22-21(24(30)18-9-10-19(28)36-18)20(16-7-4-8-17(13-16)34-2)23(27(32)33)29(22)26(31)15-5-3-6-15/h4,7-13,15,20-23H,3,5-6H2,1-2H3,(H,32,33)