methyl (2S)-3-methyl-2-[[2-[(2-thiophen-3-ylethanoylamino)methyl]quinazolin-4-yl]amino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[(2-thiophen-3-ylethanoylamino)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[[[2-(3-thienyl)acetyl]amino]methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[[1-oxo-2-(3-thiophenyl)ethyl]amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[[(2-thiophen-3-ylacetyl)amino]methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-[[[2-(3-thienyl)acetyl]amino]methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)CC3=CSC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)CC3=CSC=C3

InChI

InChI=1S/C21H24N4O3S/c1-13(2)19(21(27)28-3)25-20-15-6-4-5-7-16(15)23-17(24-20)11-22-18(26)10-14-8-9-29-12-14/h4-9,12-13,19H,10-11H2,1-3H3,(H,22,26)(H,23,24,25)/t19-/m0/s1