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

Systemtic Name: ethyl (4R)-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: ethyl (4R)-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: (4R)-4-[4-(1-benzimidazolylmethyl)-2-thiophenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: (4R)-4-[4-(benzimidazol-1-ylmethyl)-2-thienyl]-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid ethyl ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1C3=CC(=CS3)CN4C=NC5=CC=CC=C54)C(=O)CCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=C([C@H]1C3=CC(=CS3)CN4C=NC5=CC=CC=C54)C(=O)CCC2)C

InChI

InChI=1S/C25H25N3O3S/c1-3-31-25(30)22-15(2)27-18-8-6-10-20(29)23(18)24(22)21-11-16(13-32-21)12-28-14-26-17-7-4-5-9-19(17)28/h4-5,7,9,11,13-14,24,27H,3,6,8,10,12H2,1-2H3/t24-/m0/s1