2-[(2,4-dichlorophenyl)carbonyl-(thiophen-3-ylmethyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(2,4-dichlorophenyl)carbonyl-(thiophen-3-ylmethyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-[(2,4-dichlorobenzoyl)-(3-thienylmethyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]-(3-thiophenylmethyl)amino]-3-phenylpropanoic acid IUPAC Name: 2-[(2,4-dichlorobenzoyl)-(thiophen-3-ylmethyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(2,4-dichlorobenzoyl)-(3-thenyl)amino]-3-phenyl-propionic acid Formula: C21H17Cl2NO3S MolecularWeight: 434.33558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CSC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CSC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H17Cl2NO3S/c22-16-6-7-17(18(23)11-16)20(25)24(12-15-8-9-28-13-15)19(21(26)27)10-14-4-2-1-3-5-14/h1-9,11,13,19H,10,12H2,(H,26,27)