[1-methanethioyl-3-methoxy-2-(2-phenylethynyl)-2,3-dihydroazet-1-ium-4-yl] ethanoate

Systemtic Name: [1-methanethioyl-3-methoxy-2-(2-phenylethynyl)-2,3-dihydroazet-1-ium-4-yl] ethanoate Openeye Name: [1-methanethioyl-3-methoxy-2-(2-phenylethynyl)-2,3-dihydroazet-1-ium-4-yl] acetate CAS Name: acetic acid [1-methanethioyl-3-methoxy-2-(2-phenylethynyl)-2,3-dihydroazet-1-ium-4-yl] ester IUPAC Name: [1-methanethioyl-3-methoxy-2-(2-phenylethynyl)-2,3-dihydroazet-1-ium-4-yl] acetate Traditional Name: acetic acid [3-methoxy-2-(2-phenylethynyl)-1-thioformyl-2,3-dihydroazet-1-ium-4-yl] ester Formula: C15H14NO3S+ MolecularWeight: 288.34156

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=[N+](C(C1OC)C#CC2=CC=CC=C2)C=S

Isomeric SMILES

CC(=O)OC1=[N+](C(C1OC)C#CC2=CC=CC=C2)C=S

InChI

InChI=1S/C15H14NO3S/c1-11(17)19-15-14(18-2)13(16(15)10-20)9-8-12-6-4-3-5-7-12/h3-7,10,13-14H,1-2H3/q+1