ethyl 5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[(E)-1-nitroso-2-(oxidanylamino)-2-phenyl-ethenyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]benzothiophene-2-carboxylate CAS Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenylethenyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[(E)-2-(hydroxyamino)-1-nitroso-2-phenyl-vinyl]amino]benzothiophene-2-carboxylic acid ethyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NC(=C(C3=CC=CC=C3)NO)N=O

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)N/C(=C(/C3=CC=CC=C3)\NO)/N=O

InChI

InChI=1S/C19H17N3O4S/c1-2-26-19(23)16-11-13-10-14(8-9-15(13)27-16)20-18(22-25)17(21-24)12-6-4-3-5-7-12/h3-11,20-21,24H,2H2,1H3/b18-17+