(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C21H22N2O5S/c1-2-3-10-26-17-8-6-15(7-9-17)21(25)22-13-20(24)27-14-16-12-18(28-23-16)19-5-4-11-29-19/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,22,25)