ethyl (4S,5R)-4-[3-(ethoxymethyl)-4-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-[3-(ethoxymethyl)-4-methoxy-phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-[3-(ethoxymethyl)-4-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-[3-(ethoxymethyl)-4-methoxyphenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-[3-(ethoxymethyl)-4-methoxy-phenyl]-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC)OC

Isomeric SMILES

CCOCC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)OCC)OC

InChI

InChI=1S/C18H24N2O4S/c1-5-23-10-13-9-12(7-8-14(13)22-4)16-15(17(21)24-6-2)11(3)19-18(25)20-16/h7-9,15-16H,3,5-6,10H2,1-2,4H3,(H2,19,20,25)/t15-,16+/m0/s1