methyl 2-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-methyl-5-oxidanylidene-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(3-benzyloxyphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-benzoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C29H27NO4S MolecularWeight: 485.59398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)OC

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/h3-15,21,27-28,30H,16-17H2,1-2H3