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

Systemtic Name: ethyl (4S,7R)-4-(4-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: ethyl (4S,7R)-4-(4-fluorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7R)-4-(4-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,7R)-4-(4-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7R)-4-(4-fluorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid ethyl ester Formula: C23H22FNO3S MolecularWeight: 411.489083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)N=C1C)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1[C@H](C2=C(C[C@H](CC2=O)C3=CC=CS3)N=C1C)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FNO3S/c1-3-28-23(27)20-13(2)25-17-11-15(19-5-4-10-29-19)12-18(26)22(17)21(20)14-6-8-16(24)9-7-14/h4-10,15,20-21H,3,11-12H2,1-2H3/t15-,20?,21-/m1/s1