(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C13H18N6O2S MolecularWeight: 322.38602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CSC(=N2)NCC=C

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CSC(=N2)NCC=C

InChI

InChI=1S/C13H18N6O2S/c1-3-5-7-19-11(16-17-18-19)8-21-12(20)10-9-22-13(15-10)14-6-4-2/h4,9H,2-3,5-8H2,1H3,(H,14,15)