2-[(3E)-4-[ethanoyl(phenyl)amino]buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate

Systemtic Name: 2-[(3E)-4-[ethanoyl(phenyl)amino]buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate Openeye Name: 2-[(3E)-4-(N-acetylanilino)buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate CAS Name: 2-[(3E)-4-(N-acetylanilino)buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate IUPAC Name: 2-[(3E)-4-(N-acetylanilino)buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate Traditional Name: 2-[(3E)-4-(N-acetylanilino)buta-1,3-dienyl]-3-ethyl-1,3-benzoxazol-3-ium-5-sulfonate Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H20N2O5S/c1-3-22-19-15-18(29(25,26)27)12-13-20(19)28-21(22)11-7-8-14-23(16(2)24)17-9-5-4-6-10-17/h4-15H,3H2,1-2H3