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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(S3)C)CN4C=NC5=CC=CC=C54)C(=O)OC

Isomeric SMILES

CC1=C([C@H](C2C(=N1)CCCC2=O)C3=CC(=C(S3)C)CN4C=NC5=CC=CC=C54)C(=O)OC

InChI

InChI=1S/C25H25N3O3S/c1-14-22(25(30)31-3)24(23-18(27-14)8-6-10-20(23)29)21-11-16(15(2)32-21)12-28-13-26-17-7-4-5-9-19(17)28/h4-5,7,9,11,13,23-24H,6,8,10,12H2,1-3H3/t23?,24-/m1/s1