phenethyl 2-methyl-4-(4-nitrophenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 2-methyl-4-(4-nitrophenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methyl-4-(4-nitrophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(4-nitrophenyl)-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C29H26N2O5S MolecularWeight: 514.59214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C29H26N2O5S/c1-18-26(29(33)36-14-13-19-6-3-2-4-7-19)27(20-9-11-22(12-10-20)31(34)35)28-23(30-18)16-21(17-24(28)32)25-8-5-15-37-25/h2-12,15,21,27,30H,13-14,16-17H2,1H3