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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C29H26N2O5S/c1-18-26(29(33)36-13-12-19-7-3-2-4-8-19)27(20-9-5-10-22(15-20)31(34)35)28-23(30-18)16-21(17-24(28)32)25-11-6-14-37-25/h2-11,14-15,21,26-27H,12-13,16-17H2,1H3/t21-,26?,27-/m1/s1