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

Systemtic Name: ethyl (3R)-4-(4-chlorophenyl)-2-ethanoyl-1-methyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylate Openeye Name: ethyl (3R)-2-acetyl-4-(4-chlorophenyl)-1-methyl-3-(2-thienyl)-3H-1,2,4,5-tetrazine-6-carboxylate CAS Name: (3R)-2-acetyl-4-(4-chlorophenyl)-1-methyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-2-acetyl-4-(4-chlorophenyl)-1-methyl-3-thiophen-2-yl-3H-1,2,4,5-tetrazine-6-carboxylate Traditional Name: (3R)-2-acetyl-4-(4-chlorophenyl)-1-methyl-3-(2-thienyl)-3H-1,2,4,5-tetrazine-6-carboxylic acid ethyl ester Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3S/c1-4-26-18(25)16-20-22(14-9-7-13(19)8-10-14)17(15-6-5-11-27-15)23(12(2)24)21(16)3/h5-11,17H,4H2,1-3H3/t17-/m1/s1