(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c19-18(23)11-5-6-12(14(9-11)21(24)25)10-26-17(22)8-7-16-20-13-3-1-2-4-15(13)27-16/h1-6,9H,7-8,10H2,(H2,19,23)