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

Systemtic Name: methyl (4S)-6-methyl-4-(4-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4S)-6-methyl-4-(4-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(4-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4S)-6-methyl-4-(4-propoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-(4-propoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OC

InChI

InChI=1S/C16H20N2O3S/c1-4-9-21-12-7-5-11(6-8-12)14-13(15(19)20-3)10(2)17-16(22)18-14/h5-8,14H,4,9H2,1-3H3,(H2,17,18,22)/t14-/m0/s1