2-[(E)-2-[ethanoyl(phenyl)amino]ethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate

Systemtic Name: 2-[(E)-2-[ethanoyl(phenyl)amino]ethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate Openeye Name: 2-[(E)-2-(N-acetylanilino)vinyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate CAS Name: 2-[(E)-2-(N-acetylanilino)ethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate IUPAC Name: 2-[(E)-2-(N-acetylanilino)ethenyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate Traditional Name: 2-[(E)-2-(N-acetylanilino)vinyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])C=CN(C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC[N+]1=C(OC2=C1C=C(C=C2)S(=O)(=O)[O-])/C=C/N(C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C19H18N2O5S/c1-3-20-17-13-16(27(23,24)25)9-10-18(17)26-19(20)11-12-21(14(2)22)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3