methyl 4-[4-[(4-bromanylphenoxy)methyl]-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-[4-[(4-bromanylphenoxy)methyl]-5-methyl-thiophen-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-[4-[(4-bromophenoxy)methyl]-5-methyl-2-thienyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-[4-[(4-bromophenoxy)methyl]-5-methyl-2-thiophenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(4-bromophenoxy)methyl]-5-methylthiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-[4-[(4-bromophenoxy)methyl]-5-methyl-2-thienyl]-5-keto-2-methyl-4,6,7,8-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(C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)COC4=CC=C(C=C4)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(S3)C)COC4=CC=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C24H24BrNO4S/c1-13-21(24(28)29-3)23(22-18(26-13)5-4-6-19(22)27)20-11-15(14(2)31-20)12-30-17-9-7-16(25)8-10-17/h7-11,23,26H,4-6,12H2,1-3H3