3-[(2,4-dichlorophenyl)carbonyl-pyrrolidin-3-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-pyrrolidin-3-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzoyl)-pyrrolidin-3-yl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(3-pyrrolidinyl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-pyrrolidin-3-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorobenzoyl)-pyrrolidin-3-yl-amino]-5-phenyl-2-thenoic acid Formula: C22H18Cl2N2O3S MolecularWeight: 461.36092

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CNCC1N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N2O3S/c23-14-6-7-16(17(24)10-14)21(27)26(15-8-9-25-12-15)18-11-19(30-20(18)22(28)29)13-4-2-1-3-5-13/h1-7,10-11,15,25H,8-9,12H2,(H,28,29)