ethyl (4R,5S,6E)-4-[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4R,5S,6E)-4-[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6E)-4-[3-(2-methoxy-2-oxo-ethoxy)phenyl]-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6E)-4-[3-(2-methoxy-2-oxoethoxy)phenyl]-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6E)-4-[3-(2-methoxy-2-oxoethoxy)phenyl]-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6E)-4-[3-(2-keto-2-methoxy-ethoxy)phenyl]-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H24N2O5S MolecularWeight: 392.46926

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=S)N1)C2=CC(=CC=C2)OCC(=O)OC)C(=O)OCC

Isomeric SMILES

CC/C=C/1\[C@H]([C@@H](NC(=S)N1)C2=CC(=CC=C2)OCC(=O)OC)C(=O)OCC

InChI

InChI=1S/C19H24N2O5S/c1-4-7-14-16(18(23)25-5-2)17(21-19(27)20-14)12-8-6-9-13(10-12)26-11-15(22)24-3/h6-10,16-17H,4-5,11H2,1-3H3,(H2,20,21,27)/b14-7+/t16-,17+/m1/s1