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

Systemtic Name: ethyl (3R)-2-ethanoyl-1-methyl-4-phenyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylate Openeye Name: ethyl (3R)-2-acetyl-1-methyl-4-phenyl-3-(2-thienyl)-3H-1,2,4,5-tetrazine-6-carboxylate CAS Name: (3R)-2-acetyl-1-methyl-4-phenyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-acetyl-1-methyl-4-phenyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylate Traditional Name: (3R)-2-acetyl-1-methyl-4-phenyl-3-(2-thienyl)-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(N(N1C)C(=O)C)C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN([C@H](N(N1C)C(=O)C)C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O3S/c1-4-25-18(24)16-19-21(14-9-6-5-7-10-14)17(15-11-8-12-26-15)22(13(2)23)20(16)3/h5-12,17H,4H2,1-3H3/t17-/m1/s1