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

Systemtic Name: propan-2-yl (4S,7R)-2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: isopropyl (4S,7R)-2-methyl-4-(4-methyl-3-nitro-phenyl)-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,7R)-2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S,7R)-2-methyl-4-(4-methyl-3-nitrophenyl)-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,7R)-5-keto-2-methyl-4-(4-methyl-3-nitro-phenyl)-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid isopropyl ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OC(C)C)C)CC(CC3=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)OC(C)C)C)C[C@H](CC3=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O5S/c1-13(2)32-25(29)22-15(4)26-18-10-17(21-6-5-9-33-21)12-20(28)24(18)23(22)16-8-7-14(3)19(11-16)27(30)31/h5-9,11,13,17,23-24H,10,12H2,1-4H3/t17-,23+,24?/m1/s1