(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2-cyanophenyl)sulfonylamino]ethanoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2-cyanophenyl)sulfonylamino]ethanoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-[(2-cyanophenyl)sulfonylamino]acetate CAS Name: 2-[(2-cyanophenyl)sulfonylamino]acetic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[(2-cyanophenyl)sulfonylamino]acetate Traditional Name: 2-[(2-cyanophenyl)sulfonylamino]acetic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)S(=O)(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)S(=O)(=O)NCC(=O)OCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C17H13N3O5S2/c18-9-12-4-1-2-6-16(12)27(22,23)19-10-17(21)24-11-13-8-14(25-20-13)15-5-3-7-26-15/h1-8,19H,10-11H2