tert-butyl 2-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)oxycarbothioyl-prop-2-enyl-amino]ethanoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)oxycarbothioyl-prop-2-enyl-amino]ethanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[2-[allyl-(1-methyltetrazol-5-yl)oxycarbothioyl-amino]acetyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-[[(1-methyl-5-tetrazolyl)oxy-sulfanylidenemethyl]-prop-2-enylamino]-1-oxoethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(1-methyltetrazol-5-yl)oxycarbothioyl-prop-2-enylamino]acetyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-[allyl-(1-methyltetrazol-5-yl)oxycarbothioyl-amino]acetyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C17H26N6O4S MolecularWeight: 410.49114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)CN(CC=C)C(=S)OC2=NN=NN2C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)CN(CC=C)C(=S)OC2=NN=NN2C

InChI

InChI=1S/C17H26N6O4S/c1-6-9-22(16(28)26-14-18-19-20-21(14)5)11-13(24)12-8-7-10-23(12)15(25)27-17(2,3)4/h6,12H,1,7-11H2,2-5H3