2-methoxy-4-[(4S,7R)-2-methyl-3-(2-methylpropoxycarbonyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-6-nitro-phenolate

Systemtic Name: 2-methoxy-4-[(4S,7R)-2-methyl-3-(2-methylpropoxycarbonyl)-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-6-nitro-phenolate Openeye Name: 4-[(4S,7R)-3-isobutoxycarbonyl-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 2-methoxy-4-[(4S,7R)-2-methyl-3-[2-methylpropoxy(oxo)methyl]-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-methoxy-4-[(4S,7R)-2-methyl-3-(2-methylpropoxycarbonyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-6-nitrophenolate Traditional Name: 4-[(4S,7R)-3-isobutoxycarbonyl-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C26H27N2O7S- MolecularWeight: 511.56678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCC(C)C)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)CC(C2)C4=CC=CS4

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCC(C)C)C3=CC(=C(C(=C3)OC)[O-])[N+](=O)[O-])C(=O)C[C@@H](C2)C4=CC=CS4

InChI

InChI=1S/C26H28N2O7S/c1-13(2)12-35-26(31)22-14(3)27-17-8-15(21-6-5-7-36-21)10-19(29)24(17)23(22)16-9-18(28(32)33)25(30)20(11-16)34-4/h5-7,9,11,13,15,22-23,30H,8,10,12H2,1-4H3/p-1/t15-,22?,23-/m1/s1