ethyl 4,5-dimethyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[3-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[3-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[3-[(4-methyl-2-quinolyl)thio]propanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C22H24N2O3S2 MolecularWeight: 428.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CCSC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C22H24N2O3S2/c1-5-27-22(26)20-14(3)15(4)29-21(20)24-18(25)10-11-28-19-12-13(2)16-8-6-7-9-17(16)23-19/h6-9,12H,5,10-11H2,1-4H3,(H,24,25)