[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(thiophen-3-ylcarbonylamino)butanoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(thiophen-3-ylcarbonylamino)butanoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 4-(thiophene-3-carbonylamino)butanoate CAS Name: 4-[[oxo(3-thiophenyl)methyl]amino]butanoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 4-(thiophene-3-carbonylamino)butanoate Traditional Name: 4-(3-thenoylamino)butyric acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCCNC(=O)C2=CSC=C2

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCCNC(=O)C2=CSC=C2

InChI

InChI=1S/C22H28N2O4S/c1-4-15(2)18-8-5-6-9-19(18)24-21(26)16(3)28-20(25)10-7-12-23-22(27)17-11-13-29-14-17/h5-6,8-9,11,13-16H,4,7,10,12H2,1-3H3,(H,23,27)(H,24,26)