methyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[2-(2-quinolylsulfanyl)propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(2-quinolinylthio)propyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-(2-quinolin-2-ylsulfanylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-(2-quinolylthio)propanoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C(C)SC2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C20H20N2O3S2/c1-11-12(2)27-19(17(11)20(24)25-4)22-18(23)13(3)26-16-10-9-14-7-5-6-8-15(14)21-16/h5-10,13H,1-4H3,(H,22,23)