[2-[[(2S)-2-ethoxy-6-nitro-4-oxidanylidene-chromen-3-ylidene]methylamino]-5-methyl-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-[[(2S)-2-ethoxy-6-nitro-4-oxidanylidene-chromen-3-ylidene]methylamino]-5-methyl-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-[[(2S)-2-ethoxy-6-nitro-4-oxo-chroman-3-ylidene]methylamino]-5-methyl-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-[[(2S)-2-ethoxy-6-nitro-4-oxo-3,4-dihydro-2H-1-benzopyran-3-ylidene]methylamino]-5-methyl-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-[[(2S)-2-ethoxy-6-nitro-4-oxochromen-3-ylidene]methylamino]-5-methyl-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-[[(2S)-2-ethoxy-4-keto-6-nitro-chroman-3-ylidene]methylamino]-5-methyl-1,3-benzothiazol-6-yl] ester Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=CNC2=NC3=C(S2)C=C(C(=C3)C)SC#N)C(=O)C4=C(O1)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCO[C@@H]1C(=CNC2=NC3=C(S2)C=C(C(=C3)C)SC#N)C(=O)C4=C(O1)C=CC(=C4)[N+](=O)[O-]

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/h4-9,20H,3H2,1-2H3,(H,23,24)/t20-/m0/s1