[1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NCC2=CC=CS2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NCC2=CC=CS2

InChI

InChI=1S/C21H26N2O5S/c1-3-4-11-27-17-9-7-16(8-10-17)21(26)23-14-19(24)28-15(2)20(25)22-13-18-6-5-12-29-18/h5-10,12,15H,3-4,11,13-14H2,1-2H3,(H,22,25)(H,23,26)