methyl (2R)-4-(2-quinazolin-4-ylsulfanylethanoyl)thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(2-quinazolin-4-ylsulfanylethanoyl)thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(2-quinazolin-4-ylsulfanylacetyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[1-oxo-2-(4-quinazolinylthio)ethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(2-quinazolin-4-ylsulfanylacetyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(quinazolin-4-ylthio)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C16H17N3O3S2/c1-22-16(21)13-8-19(6-7-23-13)14(20)9-24-15-11-4-2-3-5-12(11)17-10-18-15/h2-5,10,13H,6-9H2,1H3/t13-/m1/s1