ethyl 4-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiazole-5-carboxylate CAS Name: 4-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)thiazole-5-carboxylic acid ethyl ester Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=NCCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=NCCCCC2)C

InChI

InChI=1S/C13H19N3O2S/c1-3-18-12(17)11-9(2)15-13(19-11)16-10-7-5-4-6-8-14-10/h3-8H2,1-2H3,(H,14,15,16)