[1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl] 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid [1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=C(C=CS1)C#N)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C19H19N3O6S2/c1-12(23)14-4-6-16(7-5-14)30(26,27)22(3)11-17(24)28-13(2)18(25)21-19-15(10-20)8-9-29-19/h4-9,13H,11H2,1-3H3,(H,21,25)