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

Systemtic Name: O3,O5-dimethyl O4-(4-oxidanylidene-4-thiophen-2-yl-butyl) (4S)-2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate Openeye Name: O3,O5-dimethyl O4-[4-oxo-4-(2-thienyl)butyl] (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-dimethyl ester O4-(4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: 3-O,5-O-dimethyl 4-O-(4-oxo-4-thiophen-2-ylbutyl) (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 O4-[4-keto-4-(2-thienyl)butyl] ester O3,O5-dimethyl ester Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO7S/c1-11-15(18(23)26-3)17(16(12(2)21-11)19(24)27-4)20(25)28-9-5-7-13(22)14-8-6-10-29-14/h6,8,10,15,17H,5,7,9H2,1-4H3/t15?,17-/m0/s1