O3,O5-dimethyl O4-(2-oxidanylidene-2-thiophen-2-yl-ethyl) (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate

Systemtic Name: O3,O5-dimethyl O4-(2-oxidanylidene-2-thiophen-2-yl-ethyl) (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-dimethyl O4-[2-oxo-2-(2-thienyl)ethyl] (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-dimethyl ester O4-(2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: 3-O,5-O-dimethyl 4-O-(2-oxo-2-thiophen-2-ylethyl) (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: (4R)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O4-[2-keto-2-(2-thienyl)ethyl] ester O3,O5-dimethyl ester Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(C1C(=O)OC)C(=O)OCC(=O)C2=CC=CS2)C(=O)OC)C

Isomeric SMILES

CC1=NC(=C([C@@H](C1C(=O)OC)C(=O)OCC(=O)C2=CC=CS2)C(=O)OC)C

InChI

InChI=1S/C18H19NO7S/c1-9-13(16(21)24-3)15(14(10(2)19-9)17(22)25-4)18(23)26-8-11(20)12-6-5-7-27-12/h5-7,13,15H,8H2,1-4H3/t13?,15-/m1/s1