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

Systemtic Name: methyl 4-[4-[(4-bromanylphenoxy)methyl]-5-ethyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thiophenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl]-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C25H26BrNO4S MolecularWeight: 516.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C2C3C(=O)CCC=C3NC(=C2C(=O)OC)C)COC4=CC=C(C=C4)Br

Isomeric SMILES

CCC1=C(C=C(S1)C2C3C(=O)CCC=C3NC(=C2C(=O)OC)C)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H26BrNO4S/c1-4-20-15(13-31-17-10-8-16(26)9-11-17)12-21(32-20)24-22(25(29)30-3)14(2)27-18-6-5-7-19(28)23(18)24/h6,8-12,23-24,27H,4-5,7,13H2,1-3H3