2-[(2E)-2-(2-methylidenebutylidene)-5-phenyl-1,3-benzoxazol-3-yl]ethyl hydrogen sulfite

Systemtic Name: 2-[(2E)-2-(2-methylidenebutylidene)-5-phenyl-1,3-benzoxazol-3-yl]ethyl hydrogen sulfite Openeye Name: 2-[(2E)-2-(2-methylenebutylidene)-5-phenyl-1,3-benzoxazol-3-yl]ethyl hydrogen sulfite CAS Name: sulfurous acid 2-[(2E)-2-(2-methylenebutylidene)-5-phenyl-1,3-benzoxazol-3-yl]ethyl ester IUPAC Name: 2-[(2E)-2-(2-methylidenebutylidene)-5-phenyl-1,3-benzoxazol-3-yl]ethyl hydrogen sulfite Traditional Name: sulfurous acid 2-[(2E)-2-(2-ethylprop-2-enylidene)-5-phenyl-1,3-benzoxazol-3-yl]ethyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C)C=C1N(C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCOS(=O)O

Isomeric SMILES

CCC(=C)/C=C/1\N(C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCOS(=O)O

InChI

InChI=1S/C20H21NO4S/c1-3-15(2)13-20-21(11-12-24-26(22)23)18-14-17(9-10-19(18)25-20)16-7-5-4-6-8-16/h4-10,13-14H,2-3,11-12H2,1H3,(H,22,23)/b20-13+