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

Systemtic Name: propyl (4R,4aS)-2-methyl-5-oxidanylidene-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: propyl (4R,4aS)-2-methyl-5-oxo-4-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4R,4aS)-2-methyl-5-oxo-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4R,4aS)-2-methyl-5-oxo-4-thiophen-2-yl-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4R,4aS)-5-keto-2-methyl-4-(2-thienyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid propyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2CCCC(=O)C2C1C3=CC=CS3)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2CCCC(=O)[C@H]2[C@H]1C3=CC=CS3)C

InChI

InChI=1S/C18H21NO3S/c1-3-9-22-18(21)15-11(2)19-12-6-4-7-13(20)16(12)17(15)14-8-5-10-23-14/h5,8,10,16-17H,3-4,6-7,9H2,1-2H3/t16-,17-/m0/s1