ethyl 4-(benzotriazol-1-yl)-3-methyl-4-(5-methylthiophen-2-yl)butanoate

Systemtic Name: ethyl 4-(benzotriazol-1-yl)-3-methyl-4-(5-methylthiophen-2-yl)butanoate Openeye Name: ethyl 4-(benzotriazol-1-yl)-3-methyl-4-(5-methyl-2-thienyl)butanoate CAS Name: 4-(1-benzotriazolyl)-3-methyl-4-(5-methyl-2-thiophenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(benzotriazol-1-yl)-3-methyl-4-(5-methylthiophen-2-yl)butanoate Traditional Name: 4-(benzotriazol-1-yl)-3-methyl-4-(5-methyl-2-thienyl)butyric acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)C(C1=CC=C(S1)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)CC(C)C(C1=CC=C(S1)C)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H21N3O2S/c1-4-23-17(22)11-12(2)18(16-10-9-13(3)24-16)21-15-8-6-5-7-14(15)19-20-21/h5-10,12,18H,4,11H2,1-3H3