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1,3-benzothiazol-2-ylmethyl 2-benzamido-3-methyl-butanoate

1,3-benzothiazol-2-ylmethyl 2-benzamido-3-methyl-butanoate

Systemtic Name:1,3-benzothiazol-2-ylmethyl 2-benzamido-3-methyl-butanoate
Openeye Name:1,3-benzothiazol-2-ylmethyl 2-benzamido-3-methyl-butanoate
CAS Name:2-benzamido-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl 2-benzamido-3-methylbutanoate
Traditional Name:2-benzamido-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C20H20N2O3S
MolecularWeight: 368.4494
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H20N2O3S/c1-13(2)18(22-19(23)14-8-4-3-5-9-14)20(24)25-12-17-21-15-10-6-7-11-16(15)26-17/h3-11,13,18H,12H2,1-2H3,(H,22,23)


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