ethyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-(1,3-benzothiazol-2-ylthio)-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1,3-benzothiazol-2-ylsulfanyl)propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-(1,3-benzothiazol-2-ylthio)propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C18H23N3O3S2 MolecularWeight: 393.52352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H23N3O3S2/c1-2-24-18(23)21-10-7-13(8-11-21)19-16(22)9-12-25-17-20-14-5-3-4-6-15(14)26-17/h3-6,13H,2,7-12H2,1H3,(H,19,22)