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

Systemtic Name: methyl (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(5-cyano-1,2-dimethyl-3-pyrrolyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(5-cyano-1,2-dimethylpyrrol-3-yl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(5-cyano-1,2-dimethyl-pyrrol-3-yl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H20N4O2S MolecularWeight: 380.4634

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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=C3)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-12-16(10-15(11-21)23(12)3)18-17(19(25)26-4)13(2)24(20(27)22-18)14-8-6-5-7-9-14/h5-10,18H,1-4H3,(H,22,27)/t18-/m0/s1