methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-methyl-pentanoate

Systemtic Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-methyl-pentanoate Openeye Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-methyl-pentanoate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-oxobutyl]amino]-2-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-methylpentanoate Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)butanoylamino]-2-methyl-valeric acid methyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C(=O)OC)NC(=O)CCCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCC(C)(C(=O)OC)NC(=O)CCCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H24N2O3S/c1-4-12-18(2,17(22)23-3)20-15(21)10-7-11-16-19-13-8-5-6-9-14(13)24-16/h5-6,8-9H,4,7,10-12H2,1-3H3,(H,20,21)