(4-tert-butyl-2-methyl-phenyl) 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetate CAS Name: 2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetate Traditional Name: 2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C18H20N4O3S/c1-12-10-13(18(2,3)4)7-8-14(12)25-16(23)11-21-17(24)22(20-19-21)15-6-5-9-26-15/h5-10H,11H2,1-4H3