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

Systemtic Name: methyl 5-(4-methoxycarbonylphenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Openeye Name: methyl 5-(4-methoxycarbonylphenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate CAS Name: 5-(4-methoxycarbonylphenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-methoxycarbonylphenyl)-2-methyl-6-thiophen-2-yl-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylate Traditional Name: 5-(4-carbomethoxyphenyl)-2-methyl-6-(2-thienyl)-1,6-dihydro-1,2,4,5-tetrazine-3-carboxylic acid methyl ester Formula: C17H18N4O4S MolecularWeight: 374.41422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C(N1)C2=CC=CS2)C3=CC=C(C=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C(=NN(C(N1)C2=CC=CS2)C3=CC=C(C=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18N4O4S/c1-20-15(17(23)25-3)19-21(14(18-20)13-5-4-10-26-13)12-8-6-11(7-9-12)16(22)24-2/h4-10,14,18H,1-3H3