4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclopropylcarbonyl-3-(3-methoxyphenyl)-5-(2-phenylethenyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclopropylcarbonyl-3-(3-methoxyphenyl)-5-(2-phenylethenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-5-styryl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclopropyl(oxo)methyl]-3-(3-methoxyphenyl)-5-(2-phenylethenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-5-(2-phenylethenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-5-styryl-proline Formula: C29H26ClNO5S MolecularWeight: 536.03844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)O)C(=O)C3CC3)C=CC4=CC=CC=C4)C(=O)C5=CC=C(S5)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)O)C(=O)C3CC3)C=CC4=CC=CC=C4)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C29H26ClNO5S/c1-36-20-9-5-8-19(16-20)24-25(27(32)22-14-15-23(30)37-22)21(13-10-17-6-3-2-4-7-17)31(26(24)29(34)35)28(33)18-11-12-18/h2-10,13-16,18,21,24-26H,11-12H2,1H3,(H,34,35)