2-methoxyethyl (4S)-6-methyl-4-(4-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methoxyethyl (4S)-6-methyl-4-(4-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methoxyethyl (4S)-4-(4-allyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(4-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (4S)-6-methyl-4-(4-prop-2-enoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-allyloxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methoxyethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)OCC=C)C(=O)OCCOC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1)C2=CC=C(C=C2)OCC=C)C(=O)OCCOC

InChI

InChI=1S/C18H22N2O4S/c1-4-9-23-14-7-5-13(6-8-14)16-15(12(2)19-18(25)20-16)17(21)24-11-10-22-3/h4-8,16H,1,9-11H2,2-3H3,(H2,19,20,25)/t16-/m0/s1