ethyl 2-[[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: ethyl 2-[[(Z)-2-cyano-3-(2-nitrophenyl)allyl]-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(Z)-2-cyano-3-(2-nitrophenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[[(Z)-2-cyano-3-(2-nitrophenyl)allyl]-tosyl-amino]acetic acid ethyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(=CC1=CC=CC=C1[N+](=O)[O-])C#N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CN(C/C(=C/C1=CC=CC=C1[N+](=O)[O-])/C#N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H21N3O6S/c1-3-30-21(25)15-23(31(28,29)19-10-8-16(2)9-11-19)14-17(13-22)12-18-6-4-5-7-20(18)24(26)27/h4-12H,3,14-15H2,1-2H3/b17-12+