3-[(2,4-dichlorophenyl)carbonyl-(1-phenylmethoxypropan-2-yl)amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbonyl-(1-phenylmethoxypropan-2-yl)amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2-benzyloxy-1-methyl-ethyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-oxomethyl]-(1-phenylmethoxypropan-2-yl)amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzoyl)-(1-phenylmethoxypropan-2-yl)amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2-benzoxy-1-methyl-ethyl)-(2,4-dichlorobenzoyl)amino]-5-phenyl-2-thenoic acid Formula: C28H23Cl2NO4S MolecularWeight: 540.45752

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC1=CC=CC=C1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(COCC1=CC=CC=C1)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C28H23Cl2NO4S/c1-18(16-35-17-19-8-4-2-5-9-19)31(27(32)22-13-12-21(29)14-23(22)30)24-15-25(36-26(24)28(33)34)20-10-6-3-7-11-20/h2-15,18H,16-17H2,1H3,(H,33,34)