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

Systemtic Name: 4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclobutylcarbonyl-3-(3-methoxyphenyl)-5-(2-phenylethenyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-5-styryl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclobutyl(oxo)methyl]-3-(3-methoxyphenyl)-5-(2-phenylethenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-5-(2-phenylethenyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(5-chlorothiophene-2-carbonyl)-1-(cyclobutanecarbonyl)-3-(3-methoxyphenyl)-5-styryl-proline Formula: C30H28ClNO5S MolecularWeight: 550.06502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)O)C(=O)C3CCC3)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)C3CCC3)C=CC4=CC=CC=C4)C(=O)C5=CC=C(S5)Cl

InChI

InChI=1S/C30H28ClNO5S/c1-37-21-12-6-11-20(17-21)25-26(28(33)23-15-16-24(31)38-23)22(14-13-18-7-3-2-4-8-18)32(27(25)30(35)36)29(34)19-9-5-10-19/h2-4,6-8,11-17,19,22,25-27H,5,9-10H2,1H3,(H,35,36)