2-methylsulfanylethyl (4R,5S)-4-(4-hydroxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (4R,5S)-4-(4-hydroxyphenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4R,5S)-4-(4-hydroxyphenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-hydroxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4R,5S)-4-(4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-hydroxyphenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=C(C=C2)O

Isomeric SMILES

CSCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H18N2O4S/c1-9-12(14(19)21-7-8-22-2)13(17-15(20)16-9)10-3-5-11(18)6-4-10/h3-6,12-13,18H,1,7-8H2,2H3,(H2,16,17,20)/t12-,13+/m1/s1