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

Systemtic Name: ethyl 2-[3-(4-methyl-2-oxidanylidene-quinolin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-methyl-2-oxo-1-quinolyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(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-[3-(4-methyl-2-oxoquinolin-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[3-(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)CCN3C4=CC=CC=C4C(=CC3=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCN3C4=CC=CC=C4C(=CC3=O)C

InChI

InChI=1S/C24H26N2O4S/c1-3-30-24(29)22-17-9-5-7-11-19(17)31-23(22)25-20(27)12-13-26-18-10-6-4-8-16(18)15(2)14-21(26)28/h4,6,8,10,14H,3,5,7,9,11-13H2,1-2H3,(H,25,27)