ethyl (4E,5S,6S)-4-(bromanylmethylidene)-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4E,5S,6S)-4-(bromanylmethylidene)-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4E,5S,6S)-4-(bromomethylene)-2-oxo-6-(2-thienyl)hexahydropyrimidine-5-carboxylate CAS Name: (4E,5S,6S)-4-(bromomethylidene)-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4E,5S,6S)-4-(bromomethylidene)-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Traditional Name: (4E,5S,6S)-4-(bromomethylene)-2-keto-6-(2-thienyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C12H13BrN2O3S MolecularWeight: 345.21222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=CBr)C2=CC=CS2

Isomeric SMILES

CCOC(=O)[C@H]\1[C@H](NC(=O)N/C1=C/Br)C2=CC=CS2

InChI

InChI=1S/C12H13BrN2O3S/c1-2-18-11(16)9-7(6-13)14-12(17)15-10(9)8-4-3-5-19-8/h3-6,9-10H,2H2,1H3,(H2,14,15,17)/b7-6+/t9-,10-/m1/s1