2-ethylsulfanylethyl (4R,7S)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R,7S)-4-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,7S)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,7S)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7S)-4-(4-hydroxy-3-methoxy-5-nitro-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester Formula: C26H28N2O7S2 MolecularWeight: 544.63972

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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/t15-,22?,23-/m0/s1