tert-butyl 3-(phenylmethylsulfanyl)-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate

Systemtic Name: tert-butyl 3-(phenylmethylsulfanyl)-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate Openeye Name: tert-butyl 3-benzylsulfanyl-2-(2-thienyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate CAS Name: 3-(phenylmethylthio)-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzylsulfanyl-2-thiophen-2-yl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylate Traditional Name: 3-(benzylthio)-2-(2-thienyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxylic acid tert-butyl ester Formula: C23H27N3O2S2 MolecularWeight: 441.60938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=N2)SCC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2(CC1)N=C(C(=N2)SCC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C23H27N3O2S2/c1-22(2,3)28-21(27)26-13-11-23(12-14-26)24-19(18-10-7-15-29-18)20(25-23)30-16-17-8-5-4-6-9-17/h4-10,15H,11-14,16H2,1-3H3