methyl 2-(3-methylsulfanylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Systemtic Name: methyl 2-(3-methylsulfanylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate Openeye Name: methyl 2-(3-methylsulfanylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate CAS Name: 2-[[3-(methylthio)-1-oxopropyl]amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylsulfanylpropanoylamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate Traditional Name: 2-[3-(methylthio)propanoylamino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid methyl ester Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCNC2)NC(=O)CCSC

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCNC2)NC(=O)CCSC

InChI

InChI=1S/C13H18N2O3S2/c1-18-13(17)11-8-3-5-14-7-9(8)20-12(11)15-10(16)4-6-19-2/h14H,3-7H2,1-2H3,(H,15,16)