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

Systemtic Name: methyl (2S)-2-[2-(1,2-benzoxazol-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[2-(1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-indoxazen-3-ylacetyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CC1=NOC2=CC=CC=C21

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CC1=NOC2=CC=CC=C21

InChI

InChI=1S/C15H18N2O4S/c1-20-15(19)11(7-8-22-2)16-14(18)9-12-10-5-3-4-6-13(10)21-17-12/h3-6,11H,7-9H2,1-2H3,(H,16,18)/t11-/m0/s1