(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-ethoxynaphthalen-1-yl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-ethoxynaphthalen-1-yl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-ethoxy-1-naphthyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-ethoxy-1-naphthalenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-ethoxynaphthalen-1-yl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-ethoxy-1-naphthyl)acrylic acid Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C2=CC=CC=C21)C=C(C(=O)O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=CC=C(C2=CC=CC=C21)/C=C(\C(=O)O)/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H17NO4S/c1-2-26-18-12-11-14(15-7-3-4-8-16(15)18)13-20(21(24)25)28-22-23-17-9-5-6-10-19(17)27-22/h3-13H,2H2,1H3,(H,24,25)/b20-13+