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

Systemtic Name: (4-octanoylphenyl) (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate Openeye Name: (4-octanoylphenyl) (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 [4-(1-oxooctyl)phenyl] ester IUPAC Name: (4-octanoylphenyl) (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 (4-caprylylphenyl) ester Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)OC(=O)C(=CC2=CC=CS2)N3C(=NN=N3)C4=CC=CC=C4

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)OC(=O)/C(=C/C2=CC=CS2)/N3C(=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O3S/c1-2-3-4-5-9-14-26(33)21-15-17-23(18-16-21)35-28(34)25(20-24-13-10-19-36-24)32-27(29-30-31-32)22-11-7-6-8-12-22/h6-8,10-13,15-20H,2-5,9,14H2,1H3/b25-20-