methyl 5-[2-[6-(dimethylamino)hexylsulfanyl]pyridin-3-yl]carbonyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[6-(dimethylamino)hexylsulfanyl]pyridin-3-yl]carbonyl-4-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-[2-[6-(dimethylamino)hexylsulfanyl]pyridine-3-carbonyl]-4-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[6-(dimethylamino)hexylthio]-3-pyridinyl]-oxomethyl]-4-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[2-[6-(dimethylamino)hexylsulfanyl]pyridine-3-carbonyl]-4-methylthiophene-2-carboxylate Traditional Name: 5-[2-[6-(dimethylamino)hexylthio]nicotinoyl]-4-methyl-thiophene-2-carboxylic acid methyl ester Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)OC)C(=O)C2=C(N=CC=C2)SCCCCCCN(C)C

Isomeric SMILES

CC1=C(SC(=C1)C(=O)OC)C(=O)C2=C(N=CC=C2)SCCCCCCN(C)C

InChI

InChI=1S/C21H28N2O3S2/c1-15-14-17(21(25)26-4)28-19(15)18(24)16-10-9-11-22-20(16)27-13-8-6-5-7-12-23(2)3/h9-11,14H,5-8,12-13H2,1-4H3