[1-(4-methylphenyl)sulfonylpyrrol-3-yl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [1-(4-methylphenyl)sulfonylpyrrol-3-yl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [1-(p-tolylsulfonyl)pyrrol-3-yl]methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid [1-(4-methylphenyl)sulfonyl-3-pyrrolyl]methyl ester IUPAC Name: [1-(4-methylphenyl)sulfonylpyrrol-3-yl]methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (1-tosylpyrrol-3-yl)methyl ester Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)COC(=O)C3=C(NC(=S)NC3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)COC(=O)C3=C(NC(=S)NC3)C

InChI

InChI=1S/C18H19N3O4S2/c1-12-3-5-15(6-4-12)27(23,24)21-8-7-14(10-21)11-25-17(22)16-9-19-18(26)20-13(16)2/h3-8,10H,9,11H2,1-2H3,(H2,19,20,26)