2-methylpropyl (4S,4aS,7S)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl (4S,4aS,7S)-4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: isobutyl (4S,4aS,7S)-4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aS,7S)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S,4aS,7S)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aS,7S)-4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid isobutyl ester Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CC(CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OCC(C)C

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)C[C@@H](CC2=O)C3=CC=CS3)C4=CC(=C(C=C4)O)OC)C(=O)OCC(C)C

InChI

InChI=1S/C26H29NO5S/c1-14(2)13-32-26(30)23-15(3)27-18-10-17(22-6-5-9-33-22)11-20(29)25(18)24(23)16-7-8-19(28)21(12-16)31-4/h5-9,12,14,17,24-25,28H,10-11,13H2,1-4H3/t17-,24-,25-/m0/s1