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

Systemtic Name: methyl 2-[2-(5-methyl-1,2-benzoxazol-3-yl)ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-(5-methyl-1,2-benzoxazol-3-yl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-methyl-1,2-benzoxazol-3-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(5-methylindoxazen-3-yl)acetyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)ON=C2CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)ON=C2CC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C16H20N2O4S/c1-10-4-5-14-11(8-10)13(18-22-14)9-15(19)17-12(6-7-23-3)16(20)21-2/h4-5,8,12H,6-7,9H2,1-3H3,(H,17,19)