dimethyl 2-azanyl-1-(3-fluorophenyl)-5-oxidanylidene-7-phenyl-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate

Systemtic Name: dimethyl 2-azanyl-1-(3-fluorophenyl)-5-oxidanylidene-7-phenyl-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate Openeye Name: dimethyl 2-amino-1-(3-fluorophenyl)-5-oxo-7-phenyl-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate CAS Name: 2-amino-1-(3-fluorophenyl)-5-oxo-7-phenyl-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-amino-1-(3-fluorophenyl)-5-oxo-7-phenyl-4-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate Traditional Name: 2-amino-1-(3-fluorophenyl)-5-keto-7-phenyl-4-(2-thienyl)-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylic acid dimethyl ester Formula: C29H25FN2O5S MolecularWeight: 532.582603

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC=C3)F)N)C(=O)OC)C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=CC(=CC=C3)F)N)C(=O)OC)C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C29H25FN2O5S/c1-36-28(34)22-19(16-8-4-3-5-9-16)15-20-23(26(22)33)24(21-12-7-13-38-21)25(29(35)37-2)27(31)32(20)18-11-6-10-17(30)14-18/h3-14,19,22,24H,15,31H2,1-2H3