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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclopropylcarbonyl-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-[cyclopropyl(oxo)methyl]-3-(3-methoxyphenyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)pyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)proline Formula: C28H24ClNO7S MolecularWeight: 554.01066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)O)C(=O)C3CC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(S6)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(N(C2C(=O)O)C(=O)C3CC3)C4=CC5=C(C=C4)OCO5)C(=O)C6=CC=C(S6)Cl

InChI

InChI=1S/C28H24ClNO7S/c1-35-17-4-2-3-15(11-17)22-23(26(31)20-9-10-21(29)38-20)24(16-7-8-18-19(12-16)37-13-36-18)30(25(22)28(33)34)27(32)14-5-6-14/h2-4,7-12,14,22-25H,5-6,13H2,1H3,(H,33,34)