methyl (6S)-3-ethyl-4-methyl-6-phenethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-ethyl-4-methyl-6-phenethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-ethyl-4-methyl-6-phenethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-methyl-6-phenethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-ethyl-4-methyl-6-phenethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-4-methyl-6-phenethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)CCC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN1C(=C([C@@H](NC1=S)CCC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C17H22N2O2S/c1-4-19-12(2)15(16(20)21-3)14(18-17(19)22)11-10-13-8-6-5-7-9-13/h5-9,14H,4,10-11H2,1-3H3,(H,18,22)/t14-/m0/s1