ethyl 4,5-dimethyl-2-[[(4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[(4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[(4S)-6-methyl-4-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[(4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[(4S)-6-methyl-4-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=C(NC(=S)N[C@H]2C3=CC=C(C=C3)C)C

InChI

InChI=1S/C22H25N3O3S2/c1-6-28-21(27)16-12(3)14(5)30-20(16)25-19(26)17-13(4)23-22(29)24-18(17)15-9-7-11(2)8-10-15/h7-10,18H,6H2,1-5H3,(H,25,26)(H2,23,24,29)/t18-/m0/s1