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

Systemtic Name: ethyl (6R)-5-(4-chlorophenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: ethyl (6R)-5-(4-chlorophenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: (6R)-5-(4-chlorophenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-5-(4-chlorophenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: (6R)-5-(4-chlorophenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid ethyl ester Formula: C16H17ClN4O2S MolecularWeight: 364.84978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O2S/c1-3-23-16(22)15-19-21(12-8-6-11(17)7-9-12)14(18-20(15)2)13-5-4-10-24-13/h4-10,14,18H,3H2,1-2H3/t14-/m1/s1