2-ethylsulfanylethyl (4R,5S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R,5S)-4-(6-bromanyl-1,3-benzodioxol-5-yl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R,5S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R,5S)-4-(6-bromo-1,3-benzodioxol-5-yl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(6-bromo-1,3-benzodioxol-5-yl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C17H19BrN2O5S MolecularWeight: 443.31216

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CCSCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C17H19BrN2O5S/c1-3-26-5-4-23-16(21)14-9(2)19-17(22)20-15(14)10-6-12-13(7-11(10)18)25-8-24-12/h6-7,14-15H,2-5,8H2,1H3,(H2,19,20,22)/t14-,15+/m1/s1