ethyl 2-[2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4,8-dimethyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4,8-dimethyl-2-oxo-1-quinolyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4,8-dimethyl-2-oxo-1-quinolinyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4,8-dimethyl-1-quinolyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

InChI

InChI=1S/C26H30N2O4S/c1-5-19(28-21(29)14-16(4)17-12-9-10-15(3)23(17)28)24(30)27-25-22(26(31)32-6-2)18-11-7-8-13-20(18)33-25/h9-10,12,14,19H,5-8,11,13H2,1-4H3,(H,27,30)