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

Systemtic Name: ethyl 2-[2-(azepan-1-yl)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-2-24-17(23)13-7-8-14-15(11-13)25-18(19-14)20-16(22)12-21-9-5-3-4-6-10-21/h7-8,11H,2-6,9-10,12H2,1H3,(H,19,20,22)