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

Systemtic Name: 4-[(4R,7S)-3-(2-ethylsulfanylethoxycarbonyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(4R,7S)-3-(2-ethylsulfanylethoxycarbonyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(4R,7S)-3-[2-(ethylthio)ethoxy-oxomethyl]-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(4R,7S)-3-(2-ethylsulfanylethoxycarbonyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(4R,7S)-3-[2-(ethylthio)ethoxycarbonyl]-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinolin-4-yl]-2-methoxy-6-nitro-phenolate Formula: C26H27N2O7S2- MolecularWeight: 543.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)N=C1C)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-]

Isomeric SMILES

CCSCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CS3)N=C1C)C4=CC(=C(C(=C4)OC)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H28N2O7S2/c1-4-36-9-7-35-26(31)22-14(2)27-17-10-15(21-6-5-8-37-21)12-19(29)24(17)23(22)16-11-18(28(32)33)25(30)20(13-16)34-3/h5-6,8,11,13,15,22-23,30H,4,7,9-10,12H2,1-3H3/p-1/t15-,22?,23-/m0/s1