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

Systemtic Name: ethyl 2-[2-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(4-methyl-2-oxo-1-quinolyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-methyl-2-oxo-1-quinolinyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2-keto-4-methyl-1-quinolyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H26N2O4S MolecularWeight: 438.53924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C24H26N2O4S/c1-4-30-24(29)21-17-10-6-8-12-19(17)31-23(21)25-22(28)15(3)26-18-11-7-5-9-16(18)14(2)13-20(26)27/h5,7,9,11,13,15H,4,6,8,10,12H2,1-3H3,(H,25,28)