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

Systemtic Name: methyl (4R)-2-methyl-5-oxidanylidene-4-[5-(2-phenylethynyl)thiophen-2-yl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4R)-2-methyl-5-oxo-4-[5-(2-phenylethynyl)-2-thienyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R)-2-methyl-5-oxo-4-[5-(2-phenylethynyl)-2-thiophenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-2-methyl-5-oxo-4-[5-(2-phenylethynyl)thiophen-2-yl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R)-5-keto-2-methyl-4-[5-(2-phenylethynyl)-2-thienyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C24H21NO3S MolecularWeight: 403.49344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC=C(S3)C#CC4=CC=CC=C4)C(=O)CCC2

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC=C(S3)C#CC4=CC=CC=C4)C(=O)CCC2

InChI

InChI=1S/C24H21NO3S/c1-15-21(24(27)28-2)23(22-18(25-15)9-6-10-19(22)26)20-14-13-17(29-20)12-11-16-7-4-3-5-8-16/h3-5,7-8,13-14,21,23H,6,9-10H2,1-2H3/t21?,23-/m1/s1