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

Systemtic Name: butyl 2-[2-(azepan-1-yl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-2-3-12-26-19(25)15-8-9-16-17(13-15)27-20(21-16)22-18(24)14-23-10-6-4-5-7-11-23/h8-9,13H,2-7,10-12,14H2,1H3,(H,21,22,24)