methyl (2S)-4-methylsulfanyl-2-[[5-[(4-oxidanylidenequinazolin-3-yl)methyl]furan-2-yl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[5-[(4-oxidanylidenequinazolin-3-yl)methyl]furan-2-yl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carbonyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[5-[(4-oxo-3-quinazolinyl)methyl]-2-furanyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carbonyl]amino]butanoate Traditional Name: (2S)-2-[[5-[(4-ketoquinazolin-3-yl)methyl]-2-furoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(O1)CN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(O1)CN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C20H21N3O5S/c1-27-20(26)16(9-10-29-2)22-18(24)17-8-7-13(28-17)11-23-12-21-15-6-4-3-5-14(15)19(23)25/h3-8,12,16H,9-11H2,1-2H3,(H,22,24)/t16-/m0/s1