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1,3-benzothiazol-2-ylmethyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

1,3-benzothiazol-2-ylmethyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name:1,3-benzothiazol-2-ylmethyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate
Openeye Name:1,3-benzothiazol-2-ylmethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
CAS Name:(2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
Traditional Name:(2S)-2-(m-toluoylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C19H18N2O3S
MolecularWeight: 354.42282
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC2=NC3=CC=CC=C3S2


Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC2=NC3=CC=CC=C3S2


InChI

InChI=1S/C19H18N2O3S/c1-12-6-5-7-14(10-12)18(22)20-13(2)19(23)24-11-17-21-15-8-3-4-9-16(15)25-17/h3-10,13H,11H2,1-2H3,(H,20,22)/t13-/m0/s1


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