methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C16H20N2O4S/c1-4-10(2)14(15(20)21-3)18-13(19)9-23-16-17-11-7-5-6-8-12(11)22-16/h5-8,10,14H,4,9H2,1-3H3,(H,18,19)