ethyl (4S,5R)-4-(2-butoxy-5-iodanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(2-butoxy-5-iodanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(2-butoxy-5-iodo-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(2-butoxy-5-iodophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(2-butoxy-5-iodophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(2-butoxy-5-iodo-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H23IN2O3S MolecularWeight: 474.35629

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)I)C2C(C(=C)NC(=S)N2)C(=O)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)I)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCC

InChI

InChI=1S/C18H23IN2O3S/c1-4-6-9-24-14-8-7-12(19)10-13(14)16-15(17(22)23-5-2)11(3)20-18(25)21-16/h7-8,10,15-16H,3-6,9H2,1-2H3,(H2,20,21,25)/t15-,16+/m0/s1