2-[3-(aminomethyl)-4,6-dimethyl-pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid

Systemtic Name: 2-[3-(aminomethyl)-4,6-dimethyl-pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid Openeye Name: 2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridyl]sulfanyl]-2-phenyl-acetic acid CAS Name: 2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]thio]-2-phenylacetic acid IUPAC Name: 2-[3-(aminomethyl)-4,6-dimethylpyridin-2-yl]sulfanyl-2-phenylacetic acid Traditional Name: 2-[[3-(aminomethyl)-4,6-dimethyl-2-pyridyl]thio]-2-phenyl-acetic acid Formula: C16H18N2O2S MolecularWeight: 302.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1CN)SC(C2=CC=CC=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1CN)SC(C2=CC=CC=C2)C(=O)O)C

InChI

InChI=1S/C16H18N2O2S/c1-10-8-11(2)18-15(13(10)9-17)21-14(16(19)20)12-6-4-3-5-7-12/h3-8,14H,9,17H2,1-2H3,(H,19,20)