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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-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:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c22-17(26-11-16-20-14-3-1-2-4-15(14)27-16)9-10-19-18(23)12-5-7-13(8-6-12)21(24)25/h1-8H,9-11H2,(H,19,23)