2-ethylsulfanylethyl (4S,5S)-4-(3-methoxy-4-propoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,5S)-4-(3-methoxy-4-propoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5S)-4-(3-methoxy-4-propoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(3-methoxy-4-propoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5S)-4-(3-methoxy-4-propoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-2-keto-4-(3-methoxy-4-propoxy-phenyl)-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(C(=C)NC(=O)N2)C(=O)OCCSCC)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCCSCC)OC

InChI

InChI=1S/C20H28N2O5S/c1-5-9-26-15-8-7-14(12-16(15)25-4)18-17(13(3)21-20(24)22-18)19(23)27-10-11-28-6-2/h7-8,12,17-18H,3,5-6,9-11H2,1-2,4H3,(H2,21,22,24)/t17-,18-/m1/s1