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

Systemtic Name: methyl (2S)-3-methyl-2-[[2-[(thiophen-2-ylcarbonylamino)methyl]quinazolin-4-yl]amino]butanoate Openeye Name: methyl (2S)-3-methyl-2-[[2-[(thiophene-2-carbonylamino)methyl]quinazolin-4-yl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[2-[[[oxo(thiophen-2-yl)methyl]amino]methyl]-4-quinazolinyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[(thiophene-2-carbonylamino)methyl]quinazolin-4-yl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[2-[(2-thenoylamino)methyl]quinazolin-4-yl]amino]butyric acid methyl ester Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H22N4O3S/c1-12(2)17(20(26)27-3)24-18-13-7-4-5-8-14(13)22-16(23-18)11-21-19(25)15-9-6-10-28-15/h4-10,12,17H,11H2,1-3H3,(H,21,25)(H,22,23,24)/t17-/m0/s1