2-[(3-bromanylthiophen-2-yl)methyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-bromanylthiophen-2-yl)methyl-(2,4-dichlorophenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromo-2-thienyl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromo-2-thiophenyl)methyl-[(2,4-dichlorophenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromothiophen-2-yl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromo-2-thienyl)methyl-(2,4-dichlorobenzoyl)amino]-3-phenyl-propionic acid Formula: C21H16BrCl2NO3S MolecularWeight: 513.23164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=C(C=CS2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=C(C=CS2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H16BrCl2NO3S/c22-16-8-9-29-19(16)12-25(20(26)15-7-6-14(23)11-17(15)24)18(21(27)28)10-13-4-2-1-3-5-13/h1-9,11,18H,10,12H2,(H,27,28)