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

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] (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 [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) (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-2-piperidino-ethyl) ester Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)COC(=O)C(=CC2=CC=CS2)N3C(=NN=N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)COC(=O)/C(=C/C2=CC=CS2)/N3C(=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c27-19(25-11-5-2-6-12-25)15-29-21(28)18(14-17-10-7-13-30-17)26-20(22-23-24-26)16-8-3-1-4-9-16/h1,3-4,7-10,13-14H,2,5-6,11-12,15H2/b18-14-