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

Systemtic Name: (phenylmethyl) (4S,7R)-2-methyl-4-(3-nitrophenyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C28H24N2O5S MolecularWeight: 500.56556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC3=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)OCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C28H24N2O5S/c1-17-25(28(32)35-16-18-7-3-2-4-8-18)26(19-9-5-10-21(13-19)30(33)34)27-22(29-17)14-20(15-23(27)31)24-11-6-12-36-24/h2-13,20,25-26H,14-16H2,1H3/t20-,25?,26-/m1/s1