[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-3-ylcarbonylamino)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(thiophene-3-carbonylamino)propanoate CAS Name: 3-[[oxo(3-thiophenyl)methyl]amino]propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(thiophene-3-carbonylamino)propanoate Traditional Name: 3-(3-thenoylamino)propionic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCNC(=O)C2=CSC=C2

InChI

InChI=1S/C17H21N3O4S/c18-12-17(6-2-1-3-7-17)20-14(21)10-24-15(22)4-8-19-16(23)13-5-9-25-11-13/h5,9,11H,1-4,6-8,10H2,(H,19,23)(H,20,21)