methyl (2S)-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(4-keto-1H-quinazolin-2-yl)methylthio]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CSCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CSCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H21N3O4S/c1-28-21(27)17(11-14-7-3-2-4-8-14)23-19(25)13-29-12-18-22-16-10-6-5-9-15(16)20(26)24-18/h2-10,17H,11-13H2,1H3,(H,23,25)(H,22,24,26)/t17-/m0/s1