ethyl 4-[2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)ethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(2-phenacylsulfanylthiazol-4-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-oxo-2-[2-(phenacylthio)-4-thiazolyl]ethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[2-(phenacylthio)thiazol-4-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2=CSC(=N2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CC2=CSC(=N2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c1-2-28-21(27)24-10-8-16(9-11-24)22-19(26)12-17-13-29-20(23-17)30-14-18(25)15-6-4-3-5-7-15/h3-7,13,16H,2,8-12,14H2,1H3,(H,22,26)