ethyl 4,5-dimethyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H30N2O3S2 MolecularWeight: 470.6473

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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=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3S2/c1-8-19(23(28)27-24-21(25(29)30-9-2)16(6)17(7)31-24)32-20-12-14(4)18-11-13(3)10-15(5)22(18)26-20/h10-12,19H,8-9H2,1-7H3,(H,27,28)