(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-butoxynaphthalen-1-yl)prop-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-butoxynaphthalen-1-yl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-butoxy-1-naphthyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2-butoxy-1-naphthalenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(2-butoxynaphthalen-1-yl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(2-butoxy-1-naphthyl)acrylic acid Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C2=CC=CC=C2C=C1)C=C(C(=O)O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCOC1=C(C2=CC=CC=C2C=C1)/C=C(/C(=O)O)\SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H21NO4S/c1-2-3-14-28-20-13-12-16-8-4-5-9-17(16)18(20)15-22(23(26)27)30-24-25-19-10-6-7-11-21(19)29-24/h4-13,15H,2-3,14H2,1H3,(H,26,27)/b22-15-