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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c1-11(19-17(22)12-5-4-6-13(9-12)21(24)25)18(23)26-10-16-20-14-7-2-3-8-15(14)27-16/h2-9,11H,10H2,1H3,(H,19,22)/t11-/m0/s1