[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C15H21N3O3S/c1-2-7-16-15-17-12(11-22-15)14(20)21-10-13(19)18-8-5-3-4-6-9-18/h2,11H,1,3-10H2,(H,16,17)