2-[[5-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]ethanoic acid Openeye Name: 2-[[5-[(E)-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-2-methoxy-phenyl]methylsulfanyl]acetic acid CAS Name: 2-[[5-[(E)-3-(4-ethyl-3-nitrophenyl)-1-oxoprop-2-enyl]-2-methoxyphenyl]methylthio]acetic acid IUPAC Name: 2-[[5-[(E)-3-(4-ethyl-3-nitrophenyl)prop-2-enoyl]-2-methoxyphenyl]methylsulfanyl]acetic acid Traditional Name: 2-[[5-[(E)-3-(4-ethyl-3-nitro-phenyl)acryloyl]-2-methoxy-benzyl]thio]acetic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)CSCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H21NO6S/c1-3-15-6-4-14(10-18(15)22(26)27)5-8-19(23)16-7-9-20(28-2)17(11-16)12-29-13-21(24)25/h4-11H,3,12-13H2,1-2H3,(H,24,25)/b8-5+