methyl 3-[[5-(cyclopropylcarbamoyl)pyridin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[[5-(cyclopropylcarbamoyl)pyridin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[5-(cyclopropylcarbamoyl)-2-pyridyl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-[(cyclopropylamino)-oxomethyl]-2-pyridinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[5-(cyclopropylcarbamoyl)pyridin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(cyclopropylcarbamoyl)-2-pyridyl]thio]methyl]benzoic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(C=C2)C(=O)NC3CC3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC=C(C=C2)C(=O)NC3CC3

InChI

InChI=1S/C18H18N2O3S/c1-23-18(22)13-4-2-3-12(9-13)11-24-16-8-5-14(10-19-16)17(21)20-15-6-7-15/h2-5,8-10,15H,6-7,11H2,1H3,(H,20,21)