ethyl N-[2-cyano-5-(ethoxycarbonylamino)-4-fluoranyl-phenyl]-N-methylsulfonyl-carbamate

Systemtic Name: ethyl N-[2-cyano-5-(ethoxycarbonylamino)-4-fluoranyl-phenyl]-N-methylsulfonyl-carbamate Openeye Name: ethyl N-[2-cyano-5-(ethoxycarbonylamino)-4-fluoro-phenyl]-N-methylsulfonyl-carbamate CAS Name: N-[2-cyano-5-(ethoxycarbonylamino)-4-fluorophenyl]-N-methylsulfonylcarbamic acid ethyl ester IUPAC Name: ethyl N-[2-cyano-5-(ethoxycarbonylamino)-4-fluorophenyl]-N-methylsulfonylcarbamate Traditional Name: N-[5-(carbethoxyamino)-2-cyano-4-fluoro-phenyl]-N-mesyl-carbamic acid ethyl ester Formula: C14H16FN3O6S MolecularWeight: 373.356743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(C=C(C(=C1)N(C(=O)OCC)S(=O)(=O)C)C#N)F

Isomeric SMILES

CCOC(=O)NC1=C(C=C(C(=C1)N(C(=O)OCC)S(=O)(=O)C)C#N)F

InChI

InChI=1S/C14H16FN3O6S/c1-4-23-13(19)17-11-7-12(9(8-16)6-10(11)15)18(25(3,21)22)14(20)24-5-2/h6-7H,4-5H2,1-3H3,(H,17,19)