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

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-[(4-methyl-2-quinolyl)sulfanyl]propanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[2-(4-methylquinolin-2-yl)sulfanylpropanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-[(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)C(C)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C22H24N2O3S2/c1-6-27-22(26)19-13(3)14(4)29-21(19)24-20(25)15(5)28-18-11-12(2)16-9-7-8-10-17(16)23-18/h7-11,15H,6H2,1-5H3,(H,24,25)