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

Systemtic Name: 2-ethoxy-4-[(4R,7R)-2-methyl-3-(2-methylpropoxycarbonyl)-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-6-nitro-phenolate Openeye Name: 2-ethoxy-4-[(4R,7R)-3-isobutoxycarbonyl-2-methyl-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-6-nitro-phenolate CAS Name: 2-ethoxy-4-[(4R,7R)-2-methyl-3-[2-methylpropoxy(oxo)methyl]-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-6-nitrophenolate IUPAC Name: 2-ethoxy-4-[(4R,7R)-2-methyl-3-(2-methylpropoxycarbonyl)-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-6-nitrophenolate Traditional Name: 2-ethoxy-4-[(4R,7R)-3-isobutoxycarbonyl-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinolin-4-yl]-6-nitro-phenolate Formula: C27H29N2O7S- MolecularWeight: 525.59336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])C2C3C(=NC(=C2C(=O)OCC(C)C)C)CC(CC3=O)C4=CC=CS4

Isomeric SMILES

CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@H]2C3C(=NC(=C2C(=O)OCC(C)C)C)C[C@H](CC3=O)C4=CC=CS4

InChI

InChI=1S/C27H30N2O7S/c1-5-35-21-12-17(10-19(26(21)31)29(33)34)24-23(27(32)36-13-14(2)3)15(4)28-18-9-16(11-20(30)25(18)24)22-7-6-8-37-22/h6-8,10,12,14,16,24-25,31H,5,9,11,13H2,1-4H3/p-1/t16-,24-,25?/m1/s1