(3,3-dimethyl-2-oxidanylidene-butyl) (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (Z)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)prop-2-enoate CAS Name: (Z)-2-(5-phenyl-1-tetrazolyl)-3-thiophen-2-yl-2-propenoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)acrylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(=CC1=CC=CS1)N2C(=NN=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)/C(=C/C1=CC=CS1)/N2C(=NN=N2)C3=CC=CC=C3

InChI

InChI=1S/C20H20N4O3S/c1-20(2,3)17(25)13-27-19(26)16(12-15-10-7-11-28-15)24-18(21-22-23-24)14-8-5-4-6-9-14/h4-12H,13H2,1-3H3/b16-12-