1,3-benzothiazol-2-ylmethyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=CO3

InChI

InChI=1S/C18H18N2O4S/c1-11(2)16(20-17(21)13-7-5-9-23-13)18(22)24-10-15-19-12-6-3-4-8-14(12)25-15/h3-9,11,16H,10H2,1-2H3,(H,20,21)