methyl 3-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[3-[2-(2-pyridyl)ethylsulfanyl]propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-[2-(2-pyridinyl)ethylthio]propyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(2-pyridin-2-ylethylsulfanyl)propanoylamino]thiophene-2-carboxylate Traditional Name: 3-[3-[2-(2-pyridyl)ethylthio]propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CCSCCC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CCSCCC2=CC=CC=N2

InChI

InChI=1S/C16H18N2O3S2/c1-21-16(20)15-13(6-11-23-15)18-14(19)7-10-22-9-5-12-4-2-3-8-17-12/h2-4,6,8,11H,5,7,9-10H2,1H3,(H,18,19)