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

Systemtic Name: phenethyl 4-(4-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C29H26FNO3S MolecularWeight: 487.585043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC=C(C=C4)F)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CS3)C4=CC=C(C=C4)F)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C29H26FNO3S/c1-18-26(29(33)34-14-13-19-6-3-2-4-7-19)27(20-9-11-22(30)12-10-20)28-23(31-18)16-21(17-24(28)32)25-8-5-15-35-25/h2-12,15-16,21,27-28,31H,13-14,17H2,1H3