ethyl (4S)-3-methanoyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-3-methanoyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-3-formyl-1,6-dimethyl-4-phenyl-2-thioxo-4H-pyrimidine-5-carboxylate CAS Name: (4S)-3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-3-formyl-1,6-dimethyl-4-phenyl-2-sulfanylidene-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-3-formyl-1,6-dimethyl-4-phenyl-2-thioxo-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)N(C1C2=CC=CC=C2)C=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S/c1-4-21-15(20)13-11(2)17(3)16(22)18(10-19)14(13)12-8-6-5-7-9-12/h5-10,14H,4H2,1-3H3/t14-/m0/s1