(phenylmethyl) 3-azanyl-4-pyridin-2-ylsulfinyl-butanoate

Systemtic Name: (phenylmethyl) 3-azanyl-4-pyridin-2-ylsulfinyl-butanoate Openeye Name: benzyl 3-amino-4-(2-pyridylsulfinyl)butanoate CAS Name: 3-amino-4-(2-pyridinylsulfinyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-4-pyridin-2-ylsulfinylbutanoate Traditional Name: 3-amino-4-(2-pyridylsulfinyl)butyric acid benzyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(CS(=O)C2=CC=CC=N2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(CS(=O)C2=CC=CC=N2)N

InChI

InChI=1S/C16H18N2O3S/c17-14(12-22(20)15-8-4-5-9-18-15)10-16(19)21-11-13-6-2-1-3-7-13/h1-9,14H,10-12,17H2