ethyl (2E)-2-[(3-azido-1-benzothiophen-2-yl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[(3-azido-1-benzothiophen-2-yl)methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[(3-azidobenzothiophen-2-yl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-azido-1-benzothiophen-2-yl)methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[(3-azido-1-benzothiophen-2-yl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-azidobenzothiophen-2-yl)acrylic acid ethyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=C(C2=CC=CC=C2S1)N=[N+]=[N-])C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=C(C2=CC=CC=C2S1)N=[N+]=[N-])/C(=O)C

InChI

InChI=1S/C15H13N3O3S/c1-3-21-15(20)11(9(2)19)8-13-14(17-18-16)10-6-4-5-7-12(10)22-13/h4-8H,3H2,1-2H3/b11-8+