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

Systemtic Name: ethyl 4-phenyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-phenyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-phenyl-2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C29H30N2O3S2 MolecularWeight: 518.6901

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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=C(C=C4C(=C3)C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H30N2O3S2/c1-6-23(36-24-15-18(4)21-14-17(3)13-19(5)26(21)30-24)27(32)31-28-25(29(33)34-7-2)22(16-35-28)20-11-9-8-10-12-20/h8-16,23H,6-7H2,1-5H3,(H,31,32)