ethyl 2-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[(5-chloro-2-thiophenyl)-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(5-chlorothiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[(5-chlorothiophene-2-carbonyl)amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C22H26ClN3O4S MolecularWeight: 463.97754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-2-30-20(28)16(14-15-6-4-3-5-7-15)25-21(29)22(10-12-24-13-11-22)26-19(27)17-8-9-18(23)31-17/h3-9,16,24H,2,10-14H2,1H3,(H,25,29)(H,26,27)