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

Systemtic Name: ethyl 2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-methyl-2-oxo-1-quinolyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-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-methyl-2-oxoquinolin-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4-methyl-1-quinolyl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H28N2O4S MolecularWeight: 452.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CCCC2)C(=O)OCC)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C25H28N2O4S/c1-4-18(27-19-12-8-6-10-16(19)15(3)14-21(27)28)23(29)26-24-22(25(30)31-5-2)17-11-7-9-13-20(17)32-24/h6,8,10,12,14,18H,4-5,7,9,11,13H2,1-3H3,(H,26,29)