2-propoxyethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: 2-propoxyethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-propoxyethyl (4S)-2,7,7-trimethyl-5-oxo-4-(3-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(3-thiophenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-propoxyethyl ester IUPAC Name: 2-propoxyethyl (4S)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(3-thienyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid 2-propoxyethyl ester Formula: C22H29NO4S MolecularWeight: 403.53496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOCCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CSC=C3

Isomeric SMILES

CCCOCCOC(=O)C1[C@@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CSC=C3

InChI

InChI=1S/C22H29NO4S/c1-5-7-26-8-9-27-21(25)18-14(2)23-16-11-22(3,4)12-17(24)20(16)19(18)15-6-10-28-13-15/h6,10,13,18-19H,5,7-9,11-12H2,1-4H3/t18?,19-/m0/s1