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

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2CCCCCCC2

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC(=O)N2CCCCCCC2

InChI

InChI=1S/C16H23N3O3S/c1-2-8-17-16-18-13(12-23-16)15(21)22-11-14(20)19-9-6-4-3-5-7-10-19/h2,12H,1,3-11H2,(H,17,18)