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

Systemtic Name: propyl (4S,4aS,7S)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: propyl (4S,4aS,7S)-2-methyl-5-oxo-4,7-bis(2-thienyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,4aS,7S)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,4aS,7S)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,4aS,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(C2C(=O)CC(C=C2N=C1C)C3=CC=CS3)C4=CC=CS4

Isomeric SMILES

CCCOC(=O)C1[C@H]([C@@H]2C(=O)C[C@@H](C=C2N=C1C)C3=CC=CS3)C4=CC=CS4

InChI

InChI=1S/C22H23NO3S2/c1-3-8-26-22(25)19-13(2)23-15-11-14(17-6-4-9-27-17)12-16(24)20(15)21(19)18-7-5-10-28-18/h4-7,9-11,14,19-21H,3,8,12H2,1-2H3/t14-,19?,20+,21-/m1/s1