(2S,3S)-2-(phenylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]butanedioic acid

Systemtic Name: (2S,3S)-2-(phenylmethyl)-3-[(4-thiophen-3-ylphenyl)methyl]butanedioic acid Openeye Name: (2S,3S)-2-benzyl-3-[[4-(3-thienyl)phenyl]methyl]butanedioic acid CAS Name: (2S,3S)-2-(phenylmethyl)-3-[[4-(3-thiophenyl)phenyl]methyl]butanedioic acid IUPAC Name: (2S,3S)-2-benzyl-3-[(4-thiophen-3-ylphenyl)methyl]butanedioic acid Traditional Name: (2S,3S)-2-benzyl-3-[4-(3-thienyl)benzyl]succinic acid Formula: C22H20O4S MolecularWeight: 380.4568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]([C@H](CC2=CC=C(C=C2)C3=CSC=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C22H20O4S/c23-21(24)19(12-15-4-2-1-3-5-15)20(22(25)26)13-16-6-8-17(9-7-16)18-10-11-27-14-18/h1-11,14,19-20H,12-13H2,(H,23,24)(H,25,26)/t19-,20-/m0/s1