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

Systemtic Name: 4-[(4S,7R)-3-methoxycarbonyl-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate Openeye Name: 4-[(4S,7R)-3-methoxycarbonyl-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate CAS Name: 4-[(4S,7R)-3-methoxycarbonyl-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitrophenolate IUPAC Name: 4-[(4S,7R)-3-methoxycarbonyl-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitrophenolate Traditional Name: 4-[(4S,7R)-3-carbomethoxy-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-nitro-phenolate Formula: C22H19N2O6S- MolecularWeight: 439.46106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6S/c1-11-19(22(27)30-2)20(12-5-6-16(25)15(9-12)24(28)29)21-14(23-11)8-13(10-17(21)26)18-4-3-7-31-18/h3-7,9,13,19-20,25H,8,10H2,1-2H3/p-1/t13-,19?,20-/m1/s1