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

Systemtic Name: O3,O5-diethyl O4-(2-oxidanylidene-2-thiophen-2-yl-ethyl) (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-diethyl O4-[2-oxo-2-(2-thienyl)ethyl] (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate CAS Name: (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-diethyl ester O4-(2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: 3-O,5-O-diethyl 4-O-(2-oxo-2-thiophen-2-ylethyl) (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Traditional Name: (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylic acid O3,O5-diethyl ester O4-[2-keto-2-(2-thienyl)ethyl] ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C(=O)OCC(=O)C2=CC=CS2

Isomeric SMILES

CCOC(=O)C1[C@@H](C(=C(N=C1C)C)C(=O)OCC)C(=O)OCC(=O)C2=CC=CS2

InChI

InChI=1S/C20H23NO7S/c1-5-26-18(23)15-11(3)21-12(4)16(19(24)27-6-2)17(15)20(25)28-10-13(22)14-8-7-9-29-14/h7-9,15,17H,5-6,10H2,1-4H3/t15?,17-/m0/s1