ethyl 2-[[4-[2-(4-methylsulfanylphenyl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[2-(4-methylsulfanylphenyl)ethanoylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[[2-(4-methylsulfanylphenyl)acetyl]amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[2-[4-(methylthio)phenyl]-1-oxoethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[[2-(4-methylsulfanylphenyl)acetyl]amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[2-[4-(methylthio)phenyl]acetyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C26H33N3O4S/c1-3-33-24(31)22(17-19-7-5-4-6-8-19)28-25(32)26(13-15-27-16-14-26)29-23(30)18-20-9-11-21(34-2)12-10-20/h4-12,22,27H,3,13-18H2,1-2H3,(H,28,32)(H,29,30)