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

Systemtic Name: ethyl 4-(benzotriazol-1-yl)-4-(5-methylthiophen-2-yl)-3-phenyl-butanoate Openeye Name: ethyl 4-(benzotriazol-1-yl)-4-(5-methyl-2-thienyl)-3-phenyl-butanoate CAS Name: 4-(1-benzotriazolyl)-4-(5-methyl-2-thiophenyl)-3-phenylbutanoic acid ethyl ester IUPAC Name: ethyl 4-(benzotriazol-1-yl)-4-(5-methylthiophen-2-yl)-3-phenylbutanoate Traditional Name: 4-(benzotriazol-1-yl)-4-(5-methyl-2-thienyl)-3-phenyl-butyric acid ethyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)C(C2=CC=C(S2)C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)C(C2=CC=C(S2)C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H23N3O2S/c1-3-28-22(27)15-18(17-9-5-4-6-10-17)23(21-14-13-16(2)29-21)26-20-12-8-7-11-19(20)24-25-26/h4-14,18,23H,3,15H2,1-2H3