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

Systemtic Name: propan-2-yl 2-[2-(azepan-1-yl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-13(2)25-18(24)14-7-8-15-16(11-14)26-19(20-15)21-17(23)12-22-9-5-3-4-6-10-22/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,20,21,23)