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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclohexylcarbonyl-3-(3-methoxyphenyl)-2-methyl-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-3-(3-methoxyphenyl)-2-methyl-5-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-5-(3-methyl-2-thienyl)proline Formula: C30H32ClNO5S2 MolecularWeight: 586.16178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C(C(N2C(=O)C3CCCCC3)(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)C3CCCCC3)(C)C(=O)O)C4=CC(=CC=C4)OC)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C30H32ClNO5S2/c1-17-14-15-38-27(17)25-23(26(33)21-12-13-22(31)39-21)24(19-10-7-11-20(16-19)37-3)30(2,29(35)36)32(25)28(34)18-8-5-4-6-9-18/h7,10-16,18,23-25H,4-6,8-9H2,1-3H3,(H,35,36)