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

Systemtic Name: 2-methoxyethyl (6S)-3-ethyl-4-methyl-6-[4-(propanoylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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 2-methoxyethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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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)OCCOC

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-5-16(24)21-15-9-7-14(8-10-15)18-17(19(25)27-12-11-26-4)13(3)23(6-2)20(28)22-18/h7-10,18H,5-6,11-12H2,1-4H3,(H,21,24)(H,22,28)/t18-/m0/s1