1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(4-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H15ClN2O3S/c1-11(20-17(22)12-6-8-13(19)9-7-12)18(23)24-10-16-21-14-4-2-3-5-15(14)25-16/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1