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

Systemtic Name: methyl 4-[4-[(2-bromanylphenoxy)methyl]-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thiophenyl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(2-bromophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[4-[(2-bromophenoxy)methyl]-5-methyl-2-thienyl]-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C24H24BrNO4S MolecularWeight: 502.42066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(S3)C)COC4=CC=CC=C4Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(S3)C)COC4=CC=CC=C4Br)C(=O)OC

InChI

InChI=1S/C24H24BrNO4S/c1-13-21(24(28)29-3)23(22-17(26-13)8-6-9-18(22)27)20-11-15(14(2)31-20)12-30-19-10-5-4-7-16(19)25/h4-5,7-8,10-11,22-23,26H,6,9,12H2,1-3H3