propyl (4S,7S)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

Systemtic Name: propyl (4S,7S)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: propyl (4S,7S)-2-methyl-5-oxo-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4S,7S)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester IUPAC Name: propyl (4S,7S)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4S,7S)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid propyl ester Formula: C22H23NO3S2 MolecularWeight: 413.55292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(C2=C(CC(CC2=O)C3=CC=CS3)N=C1C)C4=CC=CS4

Isomeric SMILES

CCCOC(=O)C1[C@@H](C2=C(C[C@@H](CC2=O)C3=CC=CS3)N=C1C)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/h4-7,9-10,14,19,21H,3,8,11-12H2,1-2H3/t14-,19?,21-/m0/s1