(E)-3-[4-[methyl(thiolan-3-yl)amino]-3-nitro-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[methyl(thiolan-3-yl)amino]-3-nitro-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[methyl(tetrahydrothiophen-3-yl)amino]-3-nitro-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[methyl(3-thiolanyl)amino]-3-nitrophenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[methyl(thiolan-3-yl)amino]-3-nitrophenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[methyl(tetrahydrothiophen-3-yl)amino]-3-nitro-phenyl]acrylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C2=C(C=C(C=C2)C=CC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCSC1)C2=C(C=C(C=C2)/C=C/C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O4S/c1-15(11-6-7-21-9-11)12-4-2-10(3-5-14(17)18)8-13(12)16(19)20/h2-5,8,11H,6-7,9H2,1H3,(H,17,18)/b5-3+