ethyl 4-[4-(4-methoxyphenyl)sulfanylphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(4-methoxyphenyl)sulfanylphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(4-methoxyphenyl)sulfanylphenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[(4-methoxyphenyl)thio]phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-methoxyphenyl)sulfanylphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[(4-methoxyphenyl)thio]phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)SC3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(C=C2)SC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H22N2O3S2/c1-4-26-20(24)18-13(2)22-21(27)23-19(18)14-5-9-16(10-6-14)28-17-11-7-15(25-3)8-12-17/h5-12,19H,4H2,1-3H3,(H2,22,23,27)