methyl (2S)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-phenylanthranil-5-carbonyl)amino]butyric acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c1-25-20(24)17(10-11-27-2)21-19(23)14-8-9-16-15(12-14)18(26-22-16)13-6-4-3-5-7-13/h3-9,12,17H,10-11H2,1-2H3,(H,21,23)/t17-/m0/s1