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

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

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(C)N3C(=O)C=C(C4=C3C(=CC=C4)C)C

InChI

InChI=1S/C25H28N2O4S/c1-5-31-25(30)21-18-10-6-7-12-19(18)32-24(21)26-23(29)16(4)27-20(28)13-15(3)17-11-8-9-14(2)22(17)27/h8-9,11,13,16H,5-7,10,12H2,1-4H3,(H,26,29)