2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate

Systemtic Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate Openeye Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate CAS Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-ethoxy-4-nitrophenolate IUPAC Name: 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-6-ethoxy-4-nitrophenolate Traditional Name: 2-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-6-ethoxy-4-nitro-phenolate Formula: C18H16N3O4S- MolecularWeight: 370.40234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CCCC3)C#N)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC2=C(C3=C(S2)CCCC3)C#N)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-2-25-15-8-12(21(23)24)7-11(17(15)22)10-20-18-14(9-19)13-5-3-4-6-16(13)26-18/h7-8,10,22H,2-6H2,1H3/p-1