(2S)-2-ethoxy-3-[(5-methyl-6-thiocyanato-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-2H-chromen-4-olate

Systemtic Name: (2S)-2-ethoxy-3-[(5-methyl-6-thiocyanato-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-2H-chromen-4-olate Openeye Name: (2S)-2-ethoxy-3-[(5-methyl-6-thiocyanato-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-2H-chromen-4-olate CAS Name: (2S)-2-ethoxy-3-[(5-methyl-6-thiocyanato-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-2H-1-benzopyran-4-olate IUPAC Name: (2S)-2-ethoxy-3-[(5-methyl-6-thiocyanato-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-2H-chromen-4-olate Traditional Name: (2S)-2-ethoxy-3-[(5-methyl-6-thiocyanato-1,3-benzothiazol-2-yl)iminomethyl]-6-nitro-2H-chromen-4-olate Formula: C21H15N4O5S2- MolecularWeight: 467.4976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])[O-])C=NC3=NC4=C(S3)C=C(C(=C4)C)SC#N

Isomeric SMILES

CCO[C@@H]1C(=C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])[O-])C=NC3=NC4=C(S3)C=C(C(=C4)C)SC#N

InChI

InChI=1S/C21H16N4O5S2/c1-3-29-20-14(19(26)13-7-12(25(27)28)4-5-16(13)30-20)9-23-21-24-15-6-11(2)17(31-10-22)8-18(15)32-21/h4-9,20,26H,3H2,1-2H3/p-1/t20-/m0/s1