methyl 4-[(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-pyrrolidin-1-ylcarbonylpyridin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[oxo(1-pyrrolidinyl)methyl]-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(pyrrolidine-1-carbonyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(pyrrolidine-1-carbonyl)-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)C(=O)N3CCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=C(C=C2)C(=O)N3CCCC3

InChI

InChI=1S/C19H20N2O3S/c1-24-19(23)15-6-4-14(5-7-15)13-25-17-9-8-16(12-20-17)18(22)21-10-2-3-11-21/h4-9,12H,2-3,10-11,13H2,1H3