ethyl 4-[3-ethoxy-5-iodanyl-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-ethoxy-5-iodanyl-4-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-ethoxy-5-iodo-4-(2-methoxy-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-ethoxy-5-iodo-4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-ethoxy-5-iodo-4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-ethoxy-5-iodo-4-(2-keto-2-methoxy-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H23IN2O6S MolecularWeight: 534.36519

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)I)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)I)OCC(=O)OC

InChI

InChI=1S/C19H23IN2O6S/c1-5-26-13-8-11(7-12(20)17(13)28-9-14(23)25-4)16-15(18(24)27-6-2)10(3)21-19(29)22-16/h7-8,16H,5-6,9H2,1-4H3,(H2,21,22,29)