2-ethylsulfanylethyl (4S,5R)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,5R)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5R)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCSCC)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@H](C(=C)NC(=O)N2)C(=O)OCCSCC)O

InChI

InChI=1S/C18H24N2O5S/c1-4-24-14-10-12(6-7-13(14)21)16-15(11(3)19-18(23)20-16)17(22)25-8-9-26-5-2/h6-7,10,15-16,21H,3-5,8-9H2,1-2H3,(H2,19,20,23)/t15-,16+/m0/s1