cyclopentyl (4S,4aS,7S)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: cyclopentyl (4S,4aS,7S)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: cyclopentyl (4S,4aS,7S)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S,4aS,7S)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S,4aS,7S)-4-(4-methoxycarbonylphenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S,4aS,7S)-4-(4-carbomethoxyphenyl)-5-keto-2-methyl-7-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid cyclopentyl ester Formula: C28H29NO5S MolecularWeight: 491.59856

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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)C(=O)OC)C(=O)OC5CCCC5

Isomeric SMILES

CC1=C([C@@H]([C@H]2C(=N1)C[C@@H](CC2=O)C3=CC=CS3)C4=CC=C(C=C4)C(=O)OC)C(=O)OC5CCCC5

InChI

InChI=1S/C28H29NO5S/c1-16-24(28(32)34-20-6-3-4-7-20)25(17-9-11-18(12-10-17)27(31)33-2)26-21(29-16)14-19(15-22(26)30)23-8-5-13-35-23/h5,8-13,19-20,25-26H,3-4,6-7,14-15H2,1-2H3/t19-,25-,26-/m0/s1