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

Systemtic Name: 2-phenoxyethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (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-phenoxyethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CSC=C4)C(=O)CC(C2)(C)C

Isomeric SMILES

CC1=NC2=C([C@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CSC=C4)C(=O)CC(C2)(C)C

InChI

InChI=1S/C25H27NO4S/c1-16-21(24(28)30-11-10-29-18-7-5-4-6-8-18)22(17-9-12-31-15-17)23-19(26-16)13-25(2,3)14-20(23)27/h4-9,12,15,21-22H,10-11,13-14H2,1-3H3/t21?,22-/m0/s1