methyl (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-3-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C2C(=C(N(C(=S)N2)C3=CC=CC=C3OC)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(N1C)C#N)[C@H]2C(=C(N(C(=S)N2)C3=CC=CC=C3OC)C)C(=O)OC

InChI

InChI=1S/C21H22N4O3S/c1-12-15(10-14(11-22)24(12)3)19-18(20(26)28-5)13(2)25(21(29)23-19)16-8-6-7-9-17(16)27-4/h6-10,19H,1-5H3,(H,23,29)/t19-/m0/s1