2-azanyl-2-[3-[2,3-bis(chloranyl)-4-thiophen-2-ylcarbonyl-phenoxy]cyclopentyl]carbonyl-pentanedioic acid

Systemtic Name: 2-azanyl-2-[3-[2,3-bis(chloranyl)-4-thiophen-2-ylcarbonyl-phenoxy]cyclopentyl]carbonyl-pentanedioic acid Openeye Name: 2-amino-2-[3-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]cyclopentanecarbonyl]pentanedioic acid CAS Name: 2-amino-2-[[3-[2,3-dichloro-4-[oxo(thiophen-2-yl)methyl]phenoxy]cyclopentyl]-oxomethyl]pentanedioic acid IUPAC Name: 2-amino-2-[3-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]cyclopentanecarbonyl]pentanedioic acid Traditional Name: 2-amino-2-[3-[2,3-dichloro-4-(2-thenoyl)phenoxy]cyclopentanecarbonyl]glutaric acid Formula: C22H21Cl2NO7S MolecularWeight: 514.37564

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC1C(=O)C(CCC(=O)O)(C(=O)O)N)OC2=C(C(=C(C=C2)C(=O)C3=CC=CS3)Cl)Cl

Isomeric SMILES

C1CC(CC1C(=O)C(CCC(=O)O)(C(=O)O)N)OC2=C(C(=C(C=C2)C(=O)C3=CC=CS3)Cl)Cl

InChI

InChI=1S/C22H21Cl2NO7S/c23-17-13(19(28)15-2-1-9-33-15)5-6-14(18(17)24)32-12-4-3-11(10-12)20(29)22(25,21(30)31)8-7-16(26)27/h1-2,5-6,9,11-12H,3-4,7-8,10,25H2,(H,26,27)(H,30,31)