methyl 3-[2-(2-pyridin-4-ylethylsulfanyl)ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(2-pyridin-4-ylethylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[2-(4-pyridyl)ethylsulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(2-pyridin-4-ylethylthio)ethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(2-pyridin-4-ylethylsulfanyl)acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[2-(4-pyridyl)ethylthio]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C15H16N2O3S2 MolecularWeight: 336.42914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)CSCCC2=CC=NC=C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)CSCCC2=CC=NC=C2

InChI

InChI=1S/C15H16N2O3S2/c1-20-15(19)14-12(5-9-22-14)17-13(18)10-21-8-4-11-2-6-16-7-3-11/h2-3,5-7,9H,4,8,10H2,1H3,(H,17,18)