ethyl 6-methyl-4-[5-methyl-4-[(2-methylphenyl)sulfanylmethyl]thiophen-2-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-4-[5-methyl-4-[(2-methylphenyl)sulfanylmethyl]thiophen-2-yl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-methyl-4-[5-methyl-4-(o-tolylsulfanylmethyl)-2-thienyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[5-methyl-4-[[(2-methylphenyl)thio]methyl]-2-thiophenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-4-[5-methyl-4-[(2-methylphenyl)sulfanylmethyl]thiophen-2-yl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-methyl-4-[5-methyl-4-[(o-tolylthio)methyl]-2-thienyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(S2)C)CSC3=CC=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(S2)C)CSC3=CC=CC=C3C)C

InChI

InChI=1S/C21H24N2O3S2/c1-5-26-20(24)18-13(3)22-21(25)23-19(18)17-10-15(14(4)28-17)11-27-16-9-7-6-8-12(16)2/h6-10,19H,5,11H2,1-4H3,(H2,22,23,25)