methyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H26N2O3S2 MolecularWeight: 442.59414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)SC2=NC3=C(C=CC=C3C)C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OC)SC2=NC3=C(C=CC=C3C)C(=C2)C

InChI

InChI=1S/C23H26N2O3S2/c1-7-17(21(26)25-22-19(23(27)28-6)14(4)15(5)29-22)30-18-11-13(3)16-10-8-9-12(2)20(16)24-18/h8-11,17H,7H2,1-6H3,(H,25,26)