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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)OC(C)C(=O)N2CCCCCC2)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)OC(C)C(=O)N2CCCCCC2)NC

InChI

InChI=1S/C15H23N3O3S/c1-10-12(13(16-3)22-17-10)15(20)21-11(2)14(19)18-8-6-4-5-7-9-18/h11,16H,4-9H2,1-3H3