[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)propanoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)propanoate Traditional Name: 3-(2-thenoylamino)propionic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CCNC(=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)CCNC(=O)C2=CC=CS2

InChI

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