ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,8-dimethylquinolin-2-yl)sulfanylbutanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-[(4,8-dimethyl-2-quinolyl)thio]butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O3S2 MolecularWeight: 504.66352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C28H28N2O3S2/c1-5-22(35-23-15-18(4)20-14-10-11-17(3)25(20)29-23)26(31)30-27-24(28(32)33-6-2)21(16-34-27)19-12-8-7-9-13-19/h7-16,22H,5-6H2,1-4H3,(H,30,31)