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

Systemtic Name: ethyl (4R,5S,6E)-4-[2-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6E)-4-[2-(2-amino-2-oxo-ethoxy)phenyl]-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6E)-4-[2-(2-amino-2-oxoethoxy)phenyl]-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6E)-4-[2-(2-amino-2-oxoethoxy)phenyl]-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6E)-4-[2-(2-amino-2-keto-ethoxy)phenyl]-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=S)N1)C2=CC=CC=C2OCC(=O)N)C(=O)OCC

Isomeric SMILES

CC/C=C/1\[C@H]([C@@H](NC(=S)N1)C2=CC=CC=C2OCC(=O)N)C(=O)OCC

InChI

InChI=1S/C18H23N3O4S/c1-3-7-12-15(17(23)24-4-2)16(21-18(26)20-12)11-8-5-6-9-13(11)25-10-14(19)22/h5-9,15-16H,3-4,10H2,1-2H3,(H2,19,22)(H2,20,21,26)/b12-7+/t15-,16+/m1/s1