ethyl 4,5-dimethyl-2-[2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-(4,6,8-trimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[2-(4,6,8-trimethyl-2-oxo-1-quinolyl)butanoylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(4,6,8-trimethyl-2-oxo-1-quinolinyl)butyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4,6,8-trimethyl-1-quinolyl)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H30N2O4S MolecularWeight: 454.5817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)N2C(=O)C=C(C3=CC(=CC(=C32)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC)N2C(=O)C=C(C3=CC(=CC(=C32)C)C)C

InChI

InChI=1S/C25H30N2O4S/c1-8-19(23(29)26-24-21(25(30)31-9-2)16(6)17(7)32-24)27-20(28)12-14(4)18-11-13(3)10-15(5)22(18)27/h10-12,19H,8-9H2,1-7H3,(H,26,29)