1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-3-nitro-phenyl]ethanone Formula: C17H14N2O4S2 MolecularWeight: 374.43406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SC3=C(C=C(C=C3)C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O4S2/c1-3-23-12-5-6-13-16(9-12)25-17(18-13)24-15-7-4-11(10(2)20)8-14(15)19(21)22/h4-9H,3H2,1-2H3