methyl 2-[2-(azepan-1-yl)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(azepan-1-yl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(1-azepanyl)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(azepan-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(azepan-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CN3CCCCCC3

InChI

InChI=1S/C17H21N3O3S/c1-23-16(22)12-6-7-13-14(10-12)24-17(18-13)19-15(21)11-20-8-4-2-3-5-9-20/h6-7,10H,2-5,8-9,11H2,1H3,(H,18,19,21)