(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-ethyl-5-propyl-thiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-ethyl-5-propyl-thiophene-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-ethyl-5-propyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-propyl-2-thiophenecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-ethyl-5-propylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-propyl-thiophene-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(S1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)CC

Isomeric SMILES

CCCC1=C(C=C(S1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)CC

InChI

InChI=1S/C18H19N3O3S/c1-3-7-15-12(4-2)10-16(25-15)18(23)24-11-21-17(22)13-8-5-6-9-14(13)19-20-21/h5-6,8-10H,3-4,7,11H2,1-2H3