O3-ethyl O5-methyl (3S,4R)-1,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-methyl (3S,4R)-1,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-methyl (3S,4R)-1,4,6-trimethyl-2-thioxo-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (3S,4R)-1,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester IUPAC Name: 3-O-ethyl 5-O-methyl (3S,4R)-1,4,6-trimethyl-2-sulfanylidene-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (3S,4R)-1,4,6-trimethyl-2-thioxo-3,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-methyl ester Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N(C1=S)C)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=C(N(C1=S)C)C)C(=O)OC)C

InChI

InChI=1S/C13H19NO4S/c1-6-18-13(16)10-7(2)9(12(15)17-5)8(3)14(4)11(10)19/h7,10H,6H2,1-5H3/t7-,10+/m0/s1