ethyl (6S)-3,4-dimethyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3,4-dimethyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3,4-dimethyl-6-(2-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3,4-dimethyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3,4-dimethyl-2-sulfanylidene-6-thiophen-2-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3,4-dimethyl-6-(2-thienyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CS2)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC=CS2)C)C

InChI

InChI=1S/C13H16N2O2S2/c1-4-17-12(16)10-8(2)15(3)13(18)14-11(10)9-6-5-7-19-9/h5-7,11H,4H2,1-3H3,(H,14,18)/t11-/m1/s1