(2-oxidanylideneazepan-3-yl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (2-oxidanylideneazepan-3-yl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (2-oxoazepan-3-yl) 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (2-oxo-3-azepanyl) ester IUPAC Name: (2-oxoazepan-3-yl) 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (2-ketoazepan-3-yl) ester Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OC2CCCCNC2=O

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OC2CCCCNC2=O

InChI

InChI=1S/C13H17N3O3S/c1-2-6-15-13-16-9(8-20-13)12(18)19-10-5-3-4-7-14-11(10)17/h2,8,10H,1,3-7H2,(H,14,17)(H,15,16)