propyl (5S,6R)-4-methylidene-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate

Systemtic Name: propyl (5S,6R)-4-methylidene-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Openeye Name: propyl (5S,6R)-4-methylene-2-oxo-6-(2-thienyl)hexahydropyrimidine-5-carboxylate CAS Name: (5S,6R)-4-methylene-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylic acid propyl ester IUPAC Name: propyl (5S,6R)-4-methylidene-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Traditional Name: (5S,6R)-2-keto-4-methylene-6-(2-thienyl)hexahydropyrimidine-5-carboxylic acid propyl ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1C(NC(=O)NC1=C)C2=CC=CS2

Isomeric SMILES

CCCOC(=O)[C@H]1[C@@H](NC(=O)NC1=C)C2=CC=CS2

InChI

InChI=1S/C13H16N2O3S/c1-3-6-18-12(16)10-8(2)14-13(17)15-11(10)9-5-4-7-19-9/h4-5,7,10-11H,2-3,6H2,1H3,(H2,14,15,17)/t10-,11+/m1/s1