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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-3-(3-methoxyphenyl)-2-methyl-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-3-(3-methoxyphenyl)-2-methyl-5-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-methyl-2-thienyl)proline Formula: C28H28ClNO5S2 MolecularWeight: 558.10862

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28ClNO5S2/c1-15-12-13-36-25(15)23-21(24(31)19-10-11-20(29)37-19)22(17-8-5-9-18(14-17)35-3)28(2,27(33)34)30(23)26(32)16-6-4-7-16/h5,8-14,16,21-23H,4,6-7H2,1-3H3,(H,33,34)