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

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O5S/c20-19(24)12-8-9-13(15(10-12)22(25)26)11-27-18(23)7-3-6-17-21-14-4-1-2-5-16(14)28-17/h1-2,4-5,8-10H,3,6-7,11H2,(H2,20,24)