methyl (2S)-3-phenyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-phenyl-2-(2-quinazolin-4-ylsulfanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-phenyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]propanoate CAS Name: (2S)-2-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-3-phenyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]propanoate Traditional Name: (2S)-3-phenyl-2-[[2-(quinazolin-4-ylthio)acetyl]amino]propionic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32

InChI

InChI=1S/C20H19N3O3S/c1-26-20(25)17(11-14-7-3-2-4-8-14)23-18(24)12-27-19-15-9-5-6-10-16(15)21-13-22-19/h2-10,13,17H,11-12H2,1H3,(H,23,24)/t17-/m0/s1