[1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylbutylamino)propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylbutylamino)ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [1-oxo-1-(1-phenylbutylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylbutylamino)propan-2-yl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-keto-1-methyl-2-(1-phenylbutylamino)ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=CS2

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C21H26N2O4S/c1-3-8-17(16-9-5-4-6-10-16)23-20(25)15(2)27-19(24)12-13-22-21(26)18-11-7-14-28-18/h4-7,9-11,14-15,17H,3,8,12-13H2,1-2H3,(H,22,26)(H,23,25)