2-[[4-(2-isocyanophenyl)phenyl]methyl]-5-sulfanyl-pentanoic acid

Systemtic Name: 2-[[4-(2-isocyanophenyl)phenyl]methyl]-5-sulfanyl-pentanoic acid Openeye Name: 2-[[4-(2-isocyanophenyl)phenyl]methyl]-5-sulfanyl-pentanoic acid CAS Name: 2-[[4-(2-isocyanophenyl)phenyl]methyl]-5-mercaptopentanoic acid IUPAC Name: 2-[[4-(2-isocyanophenyl)phenyl]methyl]-5-sulfanylpentanoic acid Traditional Name: 2-[4-(2-isocyanophenyl)benzyl]-5-mercapto-valeric acid Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=CC=C1C2=CC=C(C=C2)CC(CCCS)C(=O)O

Isomeric SMILES

[C-]#[N+]C1=CC=CC=C1C2=CC=C(C=C2)CC(CCCS)C(=O)O

InChI

InChI=1S/C19H19NO2S/c1-20-18-7-3-2-6-17(18)15-10-8-14(9-11-15)13-16(19(21)22)5-4-12-23/h2-3,6-11,16,23H,4-5,12-13H2,(H,21,22)