1-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-2-(4-ethoxy-3-nitro-phenyl)ethanone

Systemtic Name: 1-(2-azanylidene-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-2-(4-ethoxy-3-nitro-phenyl)ethanone Openeye Name: 2-(4-ethoxy-3-nitro-phenyl)-1-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)ethanone CAS Name: 2-(4-ethoxy-3-nitrophenyl)-1-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)ethanone IUPAC Name: 2-(4-ethoxy-3-nitrophenyl)-1-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)ethanone Traditional Name: 2-(4-ethoxy-3-nitro-phenyl)-1-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)ethanone Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(=O)N2C3=C(CCCC3)SC2=N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(=O)N2C3=C(CCCC3)SC2=N)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-2-24-14-8-7-11(9-13(14)20(22)23)10-16(21)19-12-5-3-4-6-15(12)25-17(19)18/h7-9,18H,2-6,10H2,1H3