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

Systemtic Name: 2-phenoxyethyl (4R,7R)-2-methyl-5-oxidanylidene-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Openeye Name: 2-phenoxyethyl (4R,7R)-2-methyl-5-oxo-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate CAS Name: (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (4R,7R)-2-methyl-5-oxo-4,7-dithiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate Traditional Name: (4R,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-phenoxyethyl ester Formula: C27H25NO4S2 MolecularWeight: 491.6217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C(=O)OCCOC3=CC=CC=C3)C4=CC=CS4)C(=O)CC(C2)C5=CC=CS5

Isomeric SMILES

CC1=NC2=C([C@@H](C1C(=O)OCCOC3=CC=CC=C3)C4=CC=CS4)C(=O)C[C@@H](C2)C5=CC=CS5

InChI

InChI=1S/C27H25NO4S2/c1-17-24(27(30)32-12-11-31-19-7-3-2-4-8-19)26(23-10-6-14-34-23)25-20(28-17)15-18(16-21(25)29)22-9-5-13-33-22/h2-10,13-14,18,24,26H,11-12,15-16H2,1H3/t18-,24?,26-/m1/s1