methyl 2-azanyl-4-(azepan-1-yl)-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-azanyl-4-(azepan-1-yl)-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-amino-4-(azepan-1-yl)thiazole-5-carboxylate CAS Name: 2-amino-4-(1-azepanyl)-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-(azepan-1-yl)-1,3-thiazole-5-carboxylate Traditional Name: 2-amino-4-(azepan-1-yl)thiazole-5-carboxylic acid methyl ester Formula: C11H17N3O2S MolecularWeight: 255.33658

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(S1)N)N2CCCCCC2

Isomeric SMILES

COC(=O)C1=C(N=C(S1)N)N2CCCCCC2

InChI

InChI=1S/C11H17N3O2S/c1-16-10(15)8-9(13-11(12)17-8)14-6-4-2-3-5-7-14/h2-7H2,1H3,(H2,12,13)