[2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(1-azocanyl)-2-oxoethyl] ester IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(azocan-1-yl)-2-keto-ethyl] ester Formula: C15H23N3O3S MolecularWeight: 325.42642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OCC(=O)N2CCCCCCC2)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OCC(=O)N2CCCCCCC2)NC

InChI

InChI=1S/C15H23N3O3S/c1-11-13(14(16-2)22-17-11)15(20)21-10-12(19)18-8-6-4-3-5-7-9-18/h16H,3-10H2,1-2H3