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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclohexylcarbonyl-3-(3-methoxyphenyl)-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-5-(3-methyl-2-thienyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclohexyl(oxo)methyl]-3-(3-methoxyphenyl)-5-(3-methyl-2-thiophenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-5-(3-methylthiophen-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclohexanecarbonyl)-3-(3-methoxyphenyl)-5-(3-methyl-2-thienyl)proline Formula: C29H30ClNO5S2 MolecularWeight: 572.1352

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H30ClNO5S2/c1-16-13-14-37-27(16)24-23(26(32)20-11-12-21(30)38-20)22(18-9-6-10-19(15-18)36-2)25(29(34)35)31(24)28(33)17-7-4-3-5-8-17/h6,9-15,17,22-25H,3-5,7-8H2,1-2H3,(H,34,35)