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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-4-14(2)17-7-5-6-8-18(17)23-20(25)15(3)27-19(24)9-11-22-21(26)16-10-12-28-13-16/h5-8,10,12-15H,4,9,11H2,1-3H3,(H,22,26)(H,23,25)