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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3S/c1-14(2)13-26-19(25)15-7-8-16-17(11-15)27-20(21-16)22-18(24)12-23-9-5-3-4-6-10-23/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,21,22,24)