[2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 2-(5-oxidanylidene-4-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)ethanoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 2-[5-oxo-4-(2-thienyl)tetrazol-1-yl]acetate CAS Name: 2-(5-oxo-4-thiophen-2-yl-1-tetrazolyl)acetic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetate Traditional Name: 2-[5-keto-4-(2-thienyl)tetrazol-1-yl]acetic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)COC(=O)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C21H29N5O4S/c27-18(25(16-8-3-1-4-9-16)17-10-5-2-6-11-17)15-30-20(28)14-24-21(29)26(23-22-24)19-12-7-13-31-19/h7,12-13,16-17H,1-6,8-11,14-15H2