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

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

Isomeric SMILES

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

InChI

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