methyl (6S)-6-(2-ethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(2-ethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(2-ethoxyphenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(2-ethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(2-ethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-methyl-6-o-phenetyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(N(C(=S)N2)C3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC=C1[C@H]2C(=C(N(C(=S)N2)C3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C21H22N2O3S/c1-4-26-17-13-9-8-12-16(17)19-18(20(24)25-3)14(2)23(21(27)22-19)15-10-6-5-7-11-15/h5-13,19H,4H2,1-3H3,(H,22,27)/t19-/m0/s1