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

Systemtic Name: methyl (4S,7R)-2-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: methyl (4S,7R)-4-(3-benzyloxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S,7R)-2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(3-benzoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid methyl ester Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OC)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OC)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C29H27NO4S/c1-18-26(29(32)33-2)27(20-10-6-11-22(14-20)34-17-19-8-4-3-5-9-19)28-23(30-18)15-21(16-24(28)31)25-12-7-13-35-25/h3-14,21,26-27H,15-17H2,1-2H3/t21-,26?,27-/m1/s1