methyl 2-[(2-azanyl-5-chloranyl-phenyl)-pyridin-4-yl-methyl]sulfanylethanoate

Systemtic Name: methyl 2-[(2-azanyl-5-chloranyl-phenyl)-pyridin-4-yl-methyl]sulfanylethanoate Openeye Name: methyl 2-[(2-amino-5-chloro-phenyl)-(4-pyridyl)methyl]sulfanylacetate CAS Name: 2-[[(2-amino-5-chlorophenyl)-pyridin-4-ylmethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(2-amino-5-chlorophenyl)-pyridin-4-ylmethyl]sulfanylacetate Traditional Name: 2-[[(2-amino-5-chloro-phenyl)-(4-pyridyl)methyl]thio]acetic acid methyl ester Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(C1=CC=NC=C1)C2=C(C=CC(=C2)Cl)N

Isomeric SMILES

COC(=O)CSC(C1=CC=NC=C1)C2=C(C=CC(=C2)Cl)N

InChI

InChI=1S/C15H15ClN2O2S/c1-20-14(19)9-21-15(10-4-6-18-7-5-10)12-8-11(16)2-3-13(12)17/h2-8,15H,9,17H2,1H3