methyl 4-[(Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoyl]oxybenzoate

Systemtic Name: methyl 4-[(Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoyl]oxybenzoate Openeye Name: methyl 4-[(Z)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)prop-2-enoyl]oxybenzoate CAS Name: 4-[(Z)-1-oxo-2-(5-phenyl-1-tetrazolyl)-3-thiophen-2-ylprop-2-enoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoyl]oxybenzoate Traditional Name: 4-[(Z)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)acryloyl]oxybenzoic acid methyl ester Formula: C22H16N4O4S MolecularWeight: 432.45184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C(=CC2=CC=CS2)N3C(=NN=N3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)/C(=C/C2=CC=CS2)/N3C(=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H16N4O4S/c1-29-21(27)16-9-11-17(12-10-16)30-22(28)19(14-18-8-5-13-31-18)26-20(23-24-25-26)15-6-3-2-4-7-15/h2-14H,1H3/b19-14-