ethyl 4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-[4-[(4-fluoranylphenoxy)methyl]-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thiophenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-fluorophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[4-[(4-fluorophenoxy)methyl]-5-methyl-2-thienyl]-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C25H26FNO4S MolecularWeight: 455.541643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(S3)C)COC4=CC=C(C=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CCCC(=O)C2C1C3=CC(=C(S3)C)COC4=CC=C(C=C4)F)C

InChI

InChI=1S/C25H26FNO4S/c1-4-30-25(29)22-14(2)27-19-6-5-7-20(28)23(19)24(22)21-12-16(15(3)32-21)13-31-18-10-8-17(26)9-11-18/h6,8-12,23-24,27H,4-5,7,13H2,1-3H3