methyl (6S)-3-ethyl-4-methyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-3-ethyl-4-methyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-ethyl-4-methyl-6-[4-(propanoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-ethyl-4-methyl-6-[4-(1-oxopropylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-ethyl-4-methyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-ethyl-4-methyl-6-(4-propionamidophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C2C(=C(N(C(=S)N2)CC)C)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)[C@H]2C(=C(N(C(=S)N2)CC)C)C(=O)OC

InChI

InChI=1S/C18H23N3O3S/c1-5-14(22)19-13-9-7-12(8-10-13)16-15(17(23)24-4)11(3)21(6-2)18(25)20-16/h7-10,16H,5-6H2,1-4H3,(H,19,22)(H,20,25)/t16-/m0/s1