(2-chloranyl-4-nitro-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (2-chloro-4-nitro-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (2-chloro-4-nitro-phenyl) ester Formula: C17H13ClN2O4S2 MolecularWeight: 408.87912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H13ClN2O4S2/c18-12-10-11(20(22)23)7-8-14(12)24-16(21)6-3-9-25-17-19-13-4-1-2-5-15(13)26-17/h1-2,4-5,7-8,10H,3,6,9H2