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

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chloranylthiophen-2-yl)carbonyl-1-cyclopropylcarbonyl-3-(3-methoxyphenyl)-2-methyl-pyrrolidine-2-carboxylic acid Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-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-methyl-2-pyrrolidinecarboxylic acid IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-2-methylpyrrolidine-2-carboxylic acid Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-(5-chlorothiophene-2-carbonyl)-1-(cyclopropanecarbonyl)-3-(3-methoxyphenyl)-2-methyl-proline Formula: C29H26ClNO7S MolecularWeight: 568.03724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(N1C(=O)C2CC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(S5)Cl)C6=CC(=CC=C6)OC)C(=O)O

Isomeric SMILES

CC1(C(C(C(N1C(=O)C2CC2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC=C(S5)Cl)C6=CC(=CC=C6)OC)C(=O)O

InChI

InChI=1S/C29H26ClNO7S/c1-29(28(34)35)24(16-4-3-5-18(12-16)36-2)23(26(32)21-10-11-22(30)39-21)25(31(29)27(33)15-6-7-15)17-8-9-19-20(13-17)38-14-37-19/h3-5,8-13,15,23-25H,6-7,14H2,1-2H3,(H,34,35)