ethyl (4S)-4-(5-iodanyl-2-methoxy-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(5-iodanyl-2-methoxy-phenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(5-iodo-2-methoxy-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(5-iodo-2-methoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(5-iodo-2-methoxyphenyl)-6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(5-iodo-2-methoxy-phenyl)-6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21IN2O3S MolecularWeight: 460.32971

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1)C2=C(C=CC(=C2)I)OC)C(=O)OCC

Isomeric SMILES

CCCC1=C([C@@H](NC(=S)N1)C2=C(C=CC(=C2)I)OC)C(=O)OCC

InChI

InChI=1S/C17H21IN2O3S/c1-4-6-12-14(16(21)23-5-2)15(20-17(24)19-12)11-9-10(18)7-8-13(11)22-3/h7-9,15H,4-6H2,1-3H3,(H2,19,20,24)/t15-/m0/s1