ethyl 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-(1,3-benzoxazol-2-ylsulfanyl)ethanoylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[2-(1,3-benzoxazol-2-ylthio)-1-oxoethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[[2-(1,3-benzoxazol-2-ylthio)acetyl]amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H28N4O5S/c1-2-29-21(28)25-12-9-15(10-13-25)23-18(26)8-5-11-22-19(27)14-31-20-24-16-6-3-4-7-17(16)30-20/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,22,27)(H,23,26)