methyl (6S)-6-(2-chlorophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(2-chlorophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-allyl-6-(2-chlorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2-chlorophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2-chlorophenyl)-4-methyl-3-prop-2-enyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-allyl-6-(2-chlorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H17ClN2O2S MolecularWeight: 336.83638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1CC=C)C2=CC=CC=C2Cl)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1CC=C)C2=CC=CC=C2Cl)C(=O)OC

InChI

InChI=1S/C16H17ClN2O2S/c1-4-9-19-10(2)13(15(20)21-3)14(18-16(19)22)11-7-5-6-8-12(11)17/h4-8,14H,1,9H2,2-3H3,(H,18,22)/t14-/m1/s1