[2-methoxy-4-[(E)-3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-prop-2-enylsulfanylethanoate

Systemtic Name: [2-methoxy-4-[(E)-3-[(2-methyl-5-nitro-phenyl)amino]-3-oxidanylidene-prop-1-enyl]phenyl] 2-prop-2-enylsulfanylethanoate Openeye Name: [2-methoxy-4-[(E)-3-(2-methyl-5-nitro-anilino)-3-oxo-prop-1-enyl]phenyl] 2-allylsulfanylacetate CAS Name: 2-(prop-2-enylthio)acetic acid [2-methoxy-4-[(E)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(2-methyl-5-nitroanilino)-3-oxoprop-1-enyl]phenyl] 2-prop-2-enylsulfanylacetate Traditional Name: 2-(allylthio)acetic acid [4-[(E)-3-keto-3-(2-methyl-5-nitro-anilino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H22N2O6S MolecularWeight: 442.48488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C=CC2=CC(=C(C=C2)OC(=O)CSCC=C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)CSCC=C)OC

InChI

InChI=1S/C22H22N2O6S/c1-4-11-31-14-22(26)30-19-9-6-16(12-20(19)29-3)7-10-21(25)23-18-13-17(24(27)28)8-5-15(18)2/h4-10,12-13H,1,11,14H2,2-3H3,(H,23,25)/b10-7+