ethyl (6R)-2-methyl-5-phenyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate

Systemtic Name: ethyl (6R)-2-methyl-5-phenyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: ethyl (6R)-2-methyl-5-phenyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: (6R)-2-methyl-5-phenyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-2-methyl-5-phenyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: (6R)-2-methyl-5-phenyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(NN1C)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN([C@@H](NN1C)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2S/c1-3-22-16(21)15-18-20(12-8-5-4-6-9-12)14(17-19(15)2)13-10-7-11-23-13/h4-11,14,17H,3H2,1-2H3/t14-/m1/s1